SCHEMBL6179952

SCHEMBL6179952

CCC(C(=O)O)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
FFAR2 O15552 1/20 0.43
CTSA P10619 10/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 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
SCHEMBL29233260 0.86 CYP1A2 (0.50) ALDH1A1FFAR2CTSACYP1A2CYP3A4
SCHEMBL3811998 0.86 ALDH1A1 (0.48) ALDH1A1FFAR2CTSACYP1A2CYP3A4
SCHEMBL30218944 0.84 ALDH1A1 (0.43) ALDH1A1FFAR2CTSACYP1A2CYP3A4
SCHEMBL2041453 0.83 CYP1A2 (0.42) ALDH1A1FFAR2CTSACYP1A2CYP3A4
SCHEMBL9782237 0.82 CYP1A2 (0.41) ALDH1A1FFAR2CTSACYP1A2CYP3A4
SCHEMBL10862235 0.79 CTSA (0.42) ALDH1A1CTSALMNA
SCHEMBL27813783 0.76 ALDH1A1 (0.46) ALDH1A1FFAR2CTSACYP1A2CYP3A4
SCHEMBL27884779 0.76 ALDH1A1 (0.41) ALDH1A1FFAR2CTSACYP1A2CYP3A4
SCHEMBL2039261 0.76 CTSA (0.48) CTSA
SCHEMBL909602 0.76 ALDH1A1 (0.44) ALDH1A1FFAR2CTSALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
US-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 US disclosed
US-20180339988-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2018-11-29 US disclosed
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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 (4 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-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 ALDH1A1 2688/4885FFAR2 4748/4885CTSA 1469/4885
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 ALDH1A1 2705/4885FFAR2 4750/4885CTSA 1511/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 ALDH1A1 2705/4885FFAR2 4750/4885CTSA 1511/4885
US-20180339988-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 ALDH1A1 2688/4885FFAR2 4748/4885CTSA 1469/4885

“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.