SCHEMBL3836616

SCHEMBL3836616

CCc1ccc2c(=O)n(-c3ccc(NC(C(=O)O)c4ccc(Cl)s4)cc3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ F10 P00742 2/20 0.31
▸ GRM1 Q13255 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ P2RX3 P56373 1/20 0.30

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
SCHEMBL28778953 0.89 THRB (0.33) MEN1KMT2ARXFP1PKMTP53
SCHEMBL1640301 0.88 F10 (0.39) RXFP1SMN1; SMN2F10
SCHEMBL3839792 0.86 EGFR (0.34) MEN1KMT2ATP53MAPTTHRB
SCHEMBL3835105 0.85 ROCK2 (0.36) F10
SCHEMBL3834826 0.84 F10 (0.34) F10
SCHEMBL3837178 0.81 P2RY12 (0.40) F10GRM1
SCHEMBL3836854 0.80 EGFR (0.36) TP53MAPTGRM1PDE4BP2RX3
SCHEMBL12727585 0.76 F10 (0.38) TP53F10
SCHEMBL3840536 0.75 F10 (0.33) MEN1KMT2AF10P2RX3
SCHEMBL1640705 0.74 F10 (0.36) RXFP1F10

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
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO claimed
EP-1473297-B1 PROCESS FOR PRODUCING TERTIARY PHOSPHINE HAVING BULKY HYDROCARBON GROUP BONDED HOKKO CHEM IND CO (JP) 2009-10-14 — — EP disclosed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
US-7250535-B2 Process for producing tertiary phosphine HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-31 — — US disclosed
US-20060020148-A1 Process for producing tertiary phosphine having bulky hydrocarbon group bonded HOLLO CHEMICAL INDUSTRY CO., LTD (JP) 2006-01-26 — — US disclosed
EP-1473297-A1 PROCESS FOR PRODUCING TERTIARY PHOSPHINE HAVING BULKY HYDROCARBON GROUP BONDED HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2004-11-03 — — EP 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-20060020148-A1 Process for producing tertiary phosphine having bulky hydrocarbon group bonded HRH3, HRH4, HRH1 MEN1 970/4885KMT2A 247/4885RXFP1 4395/4885

“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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