SCHEMBL3557083

SCHEMBL3557083

Cc1cc(C)c(S(=O)(=O)Nc2ccccc2CCCc2ccccc2C(=O)O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
SLC16A3 O15427 7/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
METAP2 P50579 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL3555027 0.97 SLC16A3 (0.58) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3557458 0.95 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3562907 0.87 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3555037 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL13117330 0.86 SLC16A3 (0.54) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3564318 0.86 SLC16A3 (0.63) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3560330 0.85 SLC16A3 (0.55) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3556579 0.84 ALDH1A1 (0.72) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL9678639 0.84 MEN1 (0.74) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3554524 0.83 SLC16A3 (0.58) ALDH1A1HSD17B10HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 (1 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 ALDH1A1 61/4885HSD17B10 236/4885HPGD 389/4885

“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.