Sugi Predict

Sugi Predict / Compounds / SCHEMBL210429

SCHEMBL210429

SCHEMBL210429

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1nc2ccccc2s1)C[C@H](O)COP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ PIN1 Q13526 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CASP3 P42574 1/20 0.34

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
SCHEMBL2724473 1.00 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2727808 0.93 CSNK1D (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2726514 0.93 CSNK1D (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL210542 0.93 CSNK1D (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL210396 0.93 CSNK1D (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2723928 0.92 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL212429 0.89 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL210430 0.88 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL210428 0.88 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2724313 0.85 CSNK1D (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885

“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.