SCHEMBL16363203

SCHEMBL16363203

COc1ccc(CO)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ STIM1 Q13586 1/20 0.49
▸ ORAI1 Q96D31 1/20 0.49
▸ IL2 P60568 7/20 0.49
▸ KDR P35968 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ ROCK2 O75116 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ JAK2 O60674 1/20 0.44

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
SCHEMBL1828445 0.86 STIM1 (0.65) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL8296803 0.86 IL2 (0.56) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL16363185 0.80 ORAI1 (0.78) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL16363179 0.80 NPC1 (0.56) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL8263206 0.78 IL2 (0.53) RAB9ALMNAALDH1A1STIM1ORAI1
SCHEMBL4769818 0.78 IL2 (0.58) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL16805017 0.76 KDR (0.53) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL2728261 0.76 IL2 (0.81) IL2
SCHEMBL15205822 0.76 IL2 (0.78) RAB9ASTIM1ORAI1IL2KDR
SCHEMBL10931690 0.75 KMT2A (0.56) RAB9AMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 — — US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — 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 (2 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885MEN1 3865/4885KMT2A 3890/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885MEN1 3865/4885KMT2A 3890/4885

“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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