SCHEMBL6098155

SCHEMBL6098155

CCCS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.47
HCRTR2 O43614 1/20 0.47
FBP1 P09467 7/20 0.47
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSIP1 O75475 1/20 0.42

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
SCHEMBL10642276 0.89 FBP1 (0.51) KMT2AALDH1A1HCRTR2FBP1CNR2
SCHEMBL13804961 0.87 KMT2A (0.45) KMT2AALDH1A1HCRTR2FBP1CNR2
SCHEMBL2612654 0.86 KMT2A (0.58) KMT2AALDH1A1HCRTR2FBP1CNR2
SCHEMBL4185645 0.83 KMT2A (0.51) KMT2AALDH1A1HCRTR2FBP1CNR2
SCHEMBL8257058 0.83 KMT2A (0.51) KMT2AALDH1A1HCRTR2FBP1
SCHEMBL3256506 0.82 KMT2A (0.58) KMT2AALDH1A1HCRTR2FBP1CNR2
SCHEMBL17277540 0.80 KMT2A (0.49) KMT2AALDH1A1HCRTR2FBP1CNR2
SCHEMBL10567359 0.80 KMT2A (0.49) KMT2AALDH1A1HCRTR2FBP1CNR2
SCHEMBL11331630 0.79 HSD17B1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19PSIP1
SCHEMBL1272243 0.79 PTGDR2 (0.48) KMT2AALDH1A1HCRTR2MEN1CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-9512122-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2016-04-07 US disclosed
US-9199994-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2015-03-19 US disclosed
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 UNIVERSITé LAVAL (CA) 2014-03-27 US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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 (7 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A KMT2A 2168/4885ALDH1A1 1138/4885HCRTR2 22/4885
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 KMT2A 3777/4885ALDH1A1 3797/4885HCRTR2 3176/4885
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KMT2A 1610/4885ALDH1A1 433/4885HCRTR2 284/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KMT2A 1610/4885ALDH1A1 433/4885HCRTR2 284/4885
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KMT2A 1610/4885ALDH1A1 433/4885HCRTR2 284/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KMT2A 1610/4885ALDH1A1 433/4885HCRTR2 284/4885
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 HSD17B11, HSD17B1, HSD17B3 KMT2A 1815/4885ALDH1A1 140/4885HCRTR2 3457/4885

“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.