SCHEMBL417469

SCHEMBL417469

CC(=O)[C@H](C)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
CYP3A4 P08684 3/20 0.56
TSHR P16473 1/20 0.56
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL416368 1.00 HPGD (0.58) HPGDCYP3A4TSHRALPIPKM
SCHEMBL13971381 1.00 HPGD (0.58) HPGDCYP3A4TSHRALPIPKM
SCHEMBL9293068 0.89 ESR1 (0.48) HPGDCYP3A4TSHRPTGS1SLC7A5
SCHEMBL12258522 0.88 MME (0.54) TSHRPTGS1LMNA
SCHEMBL12258523 0.88 MME (0.54) TSHRPTGS1LMNA
SCHEMBL12258520 0.88 MME (0.54) TSHRPTGS1LMNA
SCHEMBL265135 0.84 CYP1A2 (0.61) HPGDCYP3A4TSHRALPIPKM
SCHEMBL265577 0.84 CYP1A2 (0.61) HPGDCYP3A4TSHRALPIPKM
SCHEMBL22066481 0.84 HPGD (0.59) HPGDCYP3A4TSHRALPIPKM
SCHEMBL65930 0.84 CYP1A2 (0.61) HPGDCYP3A4TSHRALPIPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230020092-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS ENTRADA THERAPEUTICS, INC. 2023-01-19 US disclosed
WO-2020161255-A1 NOVEL METHOD FOR REDUCING HAIR GROWTH DSM IP ASSETS B.V. (NL) 2020-08-13 WO disclosed
WO-2019115624-A1 CARBABORANE-MODIFIED GHRELIN RECEPTOR AGONISTS FOR BNCT UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. 2016-12-15 US disclosed
US-9233952-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS INC (US) 2015-10-08 US disclosed
US-8481520-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8431684-B2 Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2013-04-30 US disclosed
US-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2012-03-15 US disclosed
US-8048871-B2 Inhibitors that when coadministered with a drug that undergoes in vivo degradation by cytochrome P450 enzyme, improves the pharmacokinetics, bioavailability and disease treatment such as of HIV, Hepatitis C virus, diabetes, epilepsy, cancer, depression; amide or sulfonamide-functional benzofurans SEQUOIA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SEQUOIA PHARMACEUTICALS, INC. (MD) 2011-05-12 US disclosed
US-20090004264-A1 METHODS FOR TREATING AND AMELIORATING THE SYMPTONS OF INFLAMMATORY BOWEL DISEASES THE UNIVERSITY OF QUEENSLAND (AU) 2009-01-01 US disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-7229814-B2 Nucleic acids and polypeptides involved in the production of cryptophycin REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-12 US disclosed
US-20070093645-A1 Peptide vectors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION (FR) 2007-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 HPGD 140/4885CYP3A4 20/4885TSHR 3663/4885
US-20090004264-A1 METHODS FOR TREATING AND AMELIORATING THE SYMPTONS OF INFLAMMATORY BOWEL DISEASES C5AR2, C5AR1, C3AR1 HPGD 1071/4885CYP3A4 3849/4885TSHR 1425/4885
US-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES DDT, BBOX1, IMPDH2 HPGD 1444/4885CYP3A4 86/4885TSHR 4469/4885
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO HPGD 500/4885CYP3A4 3568/4885TSHR 3526/4885
US-20230020092-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS HNRNPAB, SNRPE, HNRNPA2B1 HPGD 4812/4885CYP3A4 4883/4885TSHR 2244/4885
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 HPGD 140/4885CYP3A4 20/4885TSHR 3663/4885
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 HPGD 236/4885CYP3A4 48/4885TSHR 3887/4885
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SERPINB1, CYP3A43, PREP HPGD 304/4885CYP3A4 4/4885TSHR 4852/4885
US-20070093645-A1 Peptide vectors TP53, VIP, XIAP HPGD 3947/4885CYP3A4 4870/4885TSHR 3012/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HPGD 1824/4885CYP3A4 158/4885TSHR 4770/4885
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 HPGD 147/4885CYP3A4 7/4885TSHR 3142/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.