SCHEMBL3753401

SCHEMBL3753401

Cn1c(C(=O)O)cc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MCL1 Q07820 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
CCR2 P41597 1/20 0.55
GPR35 Q9HC97 1/20 0.53
GFER P55789 1/20 0.49
SRD5A2 P31213 1/20 0.49
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
PTGS2 P35354 4/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PHGDH O43175 3/20 0.42
ACSS2 Q9NR19 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
SCHEMBL3796212 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL3755049 0.81 CCR2 (0.65) CCR2GPR35AKR1C3AKR1C2PTGS2
SCHEMBL5889548 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL30547707 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL2001537 0.77 HSD17B10 (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL5599830 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL986506 0.76 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL43328 0.76 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL6969376 0.76 HSD17B10 (0.66) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL418126 0.76 MCL1 (1.00) KDM4EALDH1A1HPGDHSD17B10MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 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 (3 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-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, FFAR1 KDM4E 4119/4885ALDH1A1 242/4885HPGD 569/4885
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR KDM4E 718/4885ALDH1A1 3391/4885HPGD 1748/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B KDM4E 1141/4885ALDH1A1 787/4885HPGD 1786/4885

“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.