Sugi Predict

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SCHEMBL211476

SCHEMBL211476

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](CON(C=O)c1nc2ccc(Cl)cc2s1)C[C@@H](O)CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TP53 P04637 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ FSCN1 Q16658 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL212479 0.94 CSNK1D (0.34) CSNK1DTRPV1SMN1; SMN2MAOBDYRK1A
SCHEMBL210781 0.94 TRPV1 (0.34) CSNK1DTRPV1TP53SMN1; SMN2NPSR1
SCHEMBL210313 0.93 — —
SCHEMBL210863 0.92 TRPV1 (0.33) TRPV1
SCHEMBL210773 0.82 TDP1 (0.33) P2RX4
SCHEMBL210329 0.81 P2RX4 (0.33) P2RX4
SCHEMBL211123 0.81 P2RX4 (0.33) P2RX4
SCHEMBL210261 0.81 P2RX4 (0.33) P2RX4
SCHEMBL213792 0.81 P2RX4 (0.33) P2RX4
SCHEMBL212298 0.81 P2RX4 (0.33) P2RX4

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CSNK1D 754/4885TRPV1 2677/4885TP53 2206/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885TRPV1 2677/4885TP53 2206/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885TRPV1 2677/4885TP53 2206/4885

“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.