SCHEMBL3474167

SCHEMBL3474167

CCC(Oc1ccc(Cl)cc1CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.48
▸ PPARG P37231 8/20 0.47
▸ PTGDR2 Q9Y5Y4 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL7373433 0.89 GAA (0.41) PPARAPPARGPTGDR2SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7408473 0.88 GAA (0.40) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL9780844 0.82 PPARA (0.68) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL541271 0.82 PPARA (0.68) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL2210931 0.81 TSHR (0.66) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL2597640 0.81 TSHR (0.66) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL31414363 0.81 PPARA (0.66) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL28921965 0.81 PPARA (0.66) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL21057210 0.80 PPARA (0.71) PPARAPPARGPTGDR2SMN1; SMN2POLB
SCHEMBL21057209 0.80 PPARA (0.71) PPARAPPARGPTGDR2SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 — — US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 — — EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 — — WO disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 — — EP disclosed
US-6017934-A Thrombin inhibitors MERCK & CO., INC. (US) 2000-01-25 — — US disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 — — EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 — — 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 (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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT PPARA 1468/4885PPARG 1031/4885PTGDR2 1113/4885

“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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