SCHEMBL15919625

SCHEMBL15919625

Cc1ccc(C)c(N[SH](=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ RAPGEF4 Q8WZA2 1/20 0.48
▸ NLRP3 Q96P20 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL15020369 0.83 SMN1; SMN2 (0.50) RAPGEF4ALDH1A1HTTMEN1KMT2A
SCHEMBL15087198 0.79 RAPGEF4 (0.50) GAARAPGEF4KDM4EALDH1A1HTT
SCHEMBL18780754 0.79 ALDH1A1 (0.46) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL31527734 0.76 ACHE (0.50) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL27662278 0.75 MAP2K2 (0.39) GAARAPGEF4MEN1KMT2AHDAC1
SCHEMBL14624383 0.75 AKR1C3 (0.50) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL29196035 0.74 RAPGEF4 (0.71) GAARAPGEF4KDM4EALDH1A1HTT
SCHEMBL9224102 0.74 GAA (0.65) GAARAPGEF4NLRP3APOBEC3AAPOBEC3G
SCHEMBL31527801 0.74 RAB9A (0.45) GAAKDM4EALDH1A1HTTMEN1
SCHEMBL14476760 0.73 NPC1 (0.50) GAAKDM4EALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 — — US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 — — US disclosed
WO-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 — — WO 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 GAA 209/4885RAPGEF4 3217/4885NLRP3 823/4885

“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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