SCHEMBL3999747

SCHEMBL3999747

CCCCCCCOc1ccc(Br)cc1C(=O)NC(CC(=O)O)c1ccc(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.44
▸ KCNQ2 O43526 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ CTSA P10619 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ PPARD Q03181 8/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MTTP P55157 2/20 0.38
▸ GPR88 Q9GZN0 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
SCHEMBL3998698 0.94 KCNQ3 (0.42) KCNQ3KCNQ2PTGDR2PTPN11PPARD
SCHEMBL5927367 0.94 CYP26A1 (0.42) KCNQ3KCNQ2PTGDR2PTPN11ALDH1A1
SCHEMBL3995234 0.93 MMP12 (0.48) KCNQ3KCNQ2PTGDR2PTPN11ALDH1A1
SCHEMBL3995217 0.93 PTPN11 (0.46) PTPN11CTSAALDH1A1LMNAMAPK1
SCHEMBL3991621 0.91 PTPN11 (0.44) PTPN11CTSAALDH1A1LMNAMAPK1
SCHEMBL5926898 0.91 FFAR4 (0.46) KCNQ3KCNQ2PTPN11CTSAALDH1A1
SCHEMBL5926613 0.91 KCNQ3 (0.50) KCNQ3KCNQ2CTSAALDH1A1LMNA
SCHEMBL4831640 0.87 KIFC1 (0.48) KCNQ3KCNQ2PTGDR2PTPN11PPARD
SCHEMBL3999740 0.87 KIFC1 (0.48) KCNQ3KCNQ2PTGDR2PTPN11PPARD
SCHEMBL5927443 0.87 LMNA (0.45) KCNQ3KCNQ2CTSAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 KCNQ3 666/4885KCNQ2 656/4885PTGDR2 646/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 KCNQ3 1174/4885KCNQ2 1112/4885PTGDR2 450/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 KCNQ3 907/4885KCNQ2 1261/4885PTGDR2 1056/4885

“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.

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