SCHEMBL3551155

SCHEMBL3551155

Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
IDH1 O75874 2/20 0.45
ALDH1A1 P00352 2/20 0.45
WDR5 P61964 1/20 0.45
NR1I2 O75469 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
AKR1C3 P42330 1/20 0.43
TSHR P16473 1/20 0.43
NR3C1 P04150 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 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
SCHEMBL3559952 0.91 ALDH1A1 (0.51) HTR6ALDH1A1WDR5POLBTHRB
SCHEMBL3558811 0.88 MAPT (0.53) HTR6IDH1ALDH1A1NR1I2LIMK1
SCHEMBL3552082 0.88 MEN1 (0.48) ALDH1A1WDR5NR1I2AKR1C3SMN1; SMN2
SCHEMBL3563431 0.87 ALDH1A1 (0.54) ALDH1A1POLBTSHRSMN1; SMN2MAPT
SCHEMBL3563266 0.86 F2 (0.49) TSHRSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3552473 0.85 HTR6 (0.48) HTR6IDH1LIMK2POLBAKR1C3
SCHEMBL3555871 0.85 POLB (0.60) HTR6LIMK1LIMK2POLBMAPT
SCHEMBL3556021 0.84 KDM1A (0.59) HTR6ALDH1A1LIMK1LIMK2POLB
SCHEMBL3555628 0.84 HTR6 (0.65) HTR6LIMK1LIMK2POLBAKR1C3
SCHEMBL3555575 0.83 MEN1 (0.57) HTR6ALDH1A1LIMK1LIMK2AKR1C3

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 HTR6 2387/4885IDH1 970/4885ALDH1A1 61/4885

“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.