SCHEMBL10187654

SCHEMBL10187654

Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
BRD9 Q9H8M2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
METAP1 P53582 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL20887534 0.86 CYP17A1 (0.40) CYP17A1KCNQ4KCNQ5CA12CA1
SCHEMBL12225073 0.86 CYP17A1 (0.40) CYP17A1KCNQ4KCNQ5CA12CA1
SCHEMBL28856066 0.86 RXFP1 (0.47) KCNQ4KCNQ5RXFP1LMNAPOLB
SCHEMBL28707071 0.84 CYP17A1 (0.43) CYP17A1KCNQ4KCNQ5CA1RXFP1
SCHEMBL15233267 0.83 HPGD (0.55) POLBMEN1MAPTPKMKMT2A
SCHEMBL24427976 0.83 CYP17A1 (0.42) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL30739735 0.83 CYP17A1 (0.44) CYP17A1KCNQ4KCNQ5CA12CA1
SCHEMBL29451465 0.82 KCNJ6 (0.40) CYP17A1KCNQ4KCNQ5LMNAMEN1
SCHEMBL29069807 0.81 CYP17A1 (0.41) CYP17A1KCNQ4KCNQ5CA12CA1
SCHEMBL31455160 0.80 CYP17A1 (0.43) CYP17A1KCNQ4KCNQ5RXFP1LMNA

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-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 CYP17A1 1085/4885KCNQ4 847/4885KCNQ5 974/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 CYP17A1 589/4885KCNQ4 2856/4885KCNQ5 2145/4885

“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.