SCHEMBL3610034

SCHEMBL3610034

Cc1nn(C)c(Oc2cc(CCC(=O)O)ccc2Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.43
FFAR1 O14842 7/20 0.43
FFAR4 Q5NUL3 5/20 0.43
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL3605874 0.88 CYP4F2 (0.42) KDM4E
SCHEMBL3615358 0.87 SMN1; SMN2 (0.49) SLC22A12FFAR1FFAR4PPARGKDM4E
SCHEMBL3606995 0.84 LIPG (0.39) PPARG
SCHEMBL3605106 0.83 GPBAR1 (0.36) KDM4EMAPT
SCHEMBL3618268 0.82 GPBAR1 (0.41) FFAR1PPARGKDM4EMAPTPTGDR2
SCHEMBL3610953 0.81 CYP4F2 (0.37) KDM4EMAPT
SCHEMBL3605188 0.79 CA2 (0.43) SLC22A12FFAR1KDM4EMAPTPTGDR2
SCHEMBL3599881 0.78 GPBAR1 (0.40) KDM4EMAPTPTGDR2
SCHEMBL3614548 0.78 GPBAR1 (0.32) KDM4EMAPT
SCHEMBL3604684 0.76 HSD17B10 (0.38) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006243-B2 HIV inhibiting 6-substituted pyrimidines JANSSEN R&D IRELAND (IE) 2015-04-14 US disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20100016317-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES JANSSEN SCIENCES IRELAND UC (IE) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
EP-2114901-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES Tibotec Pharmaceuticals (IE) 2009-11-11 EP disclosed
WO-2008080964-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-07-10 WO 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 (2 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R SLC22A12 608/4885FFAR1 735/4885FFAR4 653/4885
US-20100016317-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES CCR5, CTR9, NR1H3 SLC22A12 4068/4885FFAR1 2619/4885FFAR4 3880/4885

“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.