SCHEMBL6179956

SCHEMBL6179956

O=C(O)CCCc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
FDPS P14324 1/20 0.42
PLA2G4A P47712 1/20 0.42
SLC6A3 Q01959 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 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
HDAC9 Q9UKV0 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
SCHEMBL11156307 0.95 PLA2G4A (0.48) PLA2G4ACES1TBXAS1LTB4R
SCHEMBL7174088 0.93 CES1 (0.49) PLA2G4ACES1TBXAS1LTB4RHPGD
SCHEMBL992041 0.89 FDPS (0.44) FFAR1FDPSPLA2G4ASLC6A3HDAC6
SCHEMBL10965621 0.81 FDPS (0.39) SMN1; SMN2HTTFDPSPLA2G4ASLC6A3
SCHEMBL19051533 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HDAC3HDAC4HDAC1HDAC2
SCHEMBL28152645 0.81 TSHR (0.45) SMN1; SMN2FDPSPKMHSD17B10HPGD
SCHEMBL2657137 0.80 PLA2G4A (0.44) SMN1; SMN2FDPSPLA2G4ACES1PKM
P-Xylene SCHEMBL6283872 0.80 TRPM8 (0.48) SMN1; SMN2FFAR1SLC6A3ALDH1A1
SCHEMBL19929602 0.79 PLA2G4A (0.43) FDPSPLA2G4ACES1PKMHSD17B10
Oxalic Acid SCHEMBL27272135 0.79 FDPS (0.40) SMN1; SMN2FDPSPLA2G4ASLC6A3CES1

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 10 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
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP 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 (5 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 SMN1; SMN2 1753/4885ALOX15 4084/4885HTT 1292/4885
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 SMN1; SMN2 1782/4885ALOX15 4129/4885HTT 1255/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 SMN1; SMN2 1782/4885ALOX15 4129/4885HTT 1255/4885
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 SMN1; SMN2 4422/4885ALOX15 555/4885HTT 444/4885
US-20180339988-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 SMN1; SMN2 1753/4885ALOX15 4084/4885HTT 1292/4885

“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.