SCHEMBL9911495

SCHEMBL9911495

CC(C)NC(=O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FAAH O00519 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL5909175 0.85 MEN1 (0.52) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL40805 0.82 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL3313335 0.82 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL94233 0.79 MEN1 (0.54) MEN1KMT2AFAAHMAPK1ALDH1A1
SCHEMBL1476944 0.79 SMN1; SMN2 (0.47) FAAHTSHRLDHASRRALDH1A1
SCHEMBL1476947 0.79 SMN1; SMN2 (0.47) FAAHTSHRLDHASRRALDH1A1
SCHEMBL2417430 0.78 MEN1 (0.46) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL13043948 0.77 LDHA (0.36) FAAHLDHASRRALDH1A1LMNA
SCHEMBL5909062 0.77 MEN1 (0.62) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL8909886 0.76 MEN1 (0.45) MEN1KMT2AFAAHMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11008330-B2 Tetraphenylporphyrin derivative KYOTO UNIVERSITY (JP) 2021-05-18 US disclosed
US-20200087315-A1 TETRAPHENYLPORPHYRIN DERIVATIVE KYOTO UNIVERSITY (JP) 2020-03-19 US disclosed
US-9988392-B2 7-beta-alkyl analogs of orvinols PURDUE PHARMA L.P. (US) 2018-06-05 US disclosed
US-20170204113-A1 7-BETA-ALKYL ANALOGS OF ORVINOLS PURDUE PHARMA L.P. (US) 2017-07-20 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160333020-A1 7-BETA ANALOGS OF ORVINOLS PURDUE PHARMA L.P. 2016-11-17 US disclosed
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2016-09-22 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
US-9096606-B2 Quarternized buprenorphine analogs PURDUE PHARMA, L.P. (US) 2015-08-04 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20140364448-A1 QUARTERNIZED BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2014-12-11 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
US-20140057931-A1 BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2014-02-27 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP 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 (9 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MEN1 511/4885KMT2A 1886/4885FAAH 2333/4885
US-20140364448-A1 QUARTERNIZED BUPRENORPHINE ANALOGS OPRL1, OPRK1, OPRD1 MEN1 4841/4885KMT2A 1722/4885FAAH 1139/4885
US-20170204113-A1 7-BETA-ALKYL ANALOGS OF ORVINOLS OPRD1, OPRK1, OPRL1 MEN1 4265/4885KMT2A 2657/4885FAAH 706/4885
US-20160333020-A1 7-BETA ANALOGS OF ORVINOLS OPRD1, OPRK1, OPRL1 MEN1 4005/4885KMT2A 2942/4885FAAH 1300/4885
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF OPRD1, OPRL1, P2RX4 MEN1 4671/4885KMT2A 1361/4885FAAH 450/4885
US-11008330-B2 Tetraphenylporphyrin derivative PPOX, TTI2, TTI1 MEN1 1941/4885KMT2A 4347/4885FAAH 4865/4885
US-20200087315-A1 TETRAPHENYLPORPHYRIN DERIVATIVE PPOX, TTI2, TTI1 MEN1 1941/4885KMT2A 4347/4885FAAH 4865/4885
US-20140057931-A1 BUPRENORPHINE ANALOGS OPRL1, OPRD1, OPRK1 MEN1 4742/4885KMT2A 1824/4885FAAH 807/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN MEN1 4348/4885KMT2A 1237/4885FAAH 4757/4885

“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.