SCHEMBL3554591

SCHEMBL3554591

Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2CCc2ccccc2C(=O)O)c(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 4/20 0.60
HPGD P15428 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
SLC16A3 O15427 12/20 0.49
FOLH1 Q04609 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL3555037 0.95 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3554524 0.94 SLC16A3 (0.58) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3557458 0.86 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3554589 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3551157 0.84 SLC16A3 (0.64) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3556581 0.83 SLC16A3 (0.58) ALDH1A1MEN1KMT2AKDM4ESLC16A3
SCHEMBL3552087 0.83 SLC16A3 (0.68) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3557553 0.83 SLC16A3 (0.53) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3561943 0.83 LMNA (0.58) ALDH1A1HSD17B10HPGDKDM4ESLC16A3
Benzene SCHEMBL3555900 0.82 KMT2A (0.55) ALDH1A1HSD17B10HPGDKMT2AKDM4E

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 4 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-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.