SCHEMBL3561670

SCHEMBL3561670

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2CCCc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.67
HSD17B2 P37059 2/20 0.49
UQCRB P14927 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
IKBKB O14920 1/20 0.47
RAB9A P51151 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
METAP2 P50579 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
PTK2B Q14289 1/20 0.44

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
SCHEMBL3564986 0.94 SLC16A3 (0.76) SLC16A3HSD17B2UQCRBNR1H4IKBKB
SCHEMBL3552022 0.91 SLC16A3 (0.63) SLC16A3RAB9AMETAP2KDM4ETSHR
SCHEMBL3553876 0.90 SLC16A3 (0.70) SLC16A3RAB9AMAPTGAA
SCHEMBL3557013 0.90 SLC16A3 (0.74) SLC16A3RAB9AMETAP2KDM4ETSHR
SCHEMBL3559260 0.89 SLC16A3 (0.60) SLC16A3HSD17B2UQCRBCA1CA2
SCHEMBL3558496 0.89 SLC16A3 (0.70) SLC16A3RAB9ASMN1; SMN2METAP2KDM4E
SCHEMBL3554625 0.88 SLC16A3 (0.69) SLC16A3RAB9AMETAP2KDM4ETSHR
SCHEMBL3563695 0.88 SLC16A3 (0.69) SLC16A3RAB9AMETAP2KDM4ETSHR
SCHEMBL3554015 0.88 SLC16A3 (0.72) SLC16A3RAB9ACA1CA2MAPT
SCHEMBL3565536 0.87 SLC16A3 (0.68) SLC16A3RAB9AMETAP2MCL1KDM4E

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 SLC16A3 425/4885HSD17B2 485/4885UQCRB 162/4885

“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.