SCHEMBL7821174

SCHEMBL7821174

O=C(O)CSc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.65
NPSR1 Q6W5P4 4/20 0.60
ALDH1A1 P00352 6/20 0.57
GAA P10253 4/20 0.57
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 6/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52

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
SCHEMBL22809569 0.77 PKM (0.52) PKMNPSR1ALDH1A1GAAUSP2
SCHEMBL23271634 0.76 PKM (0.54) PKMNPSR1ALDH1A1GAAUSP2
SCHEMBL7821180 0.76 PKM (0.54) PKMNPSR1ALDH1A1GAAHPGD
SCHEMBL7676239 0.76 NPSR1 (0.56) PKMNPSR1ALDH1A1GAAUSP2
SCHEMBL7901310 0.75 KMT2A (0.60) PKMNPSR1ALDH1A1GAAUSP2
SCHEMBL14234223 0.75 PKM (0.51) PKMNPSR1ALDH1A1GAAUSP2
SCHEMBL16592104 0.75 NPSR1 (0.55) PKMNPSR1ALDH1A1GAAMAPK1
SCHEMBL14234225 0.74 PKM (0.53) PKMNPSR1ALDH1A1GAAUSP2
SCHEMBL27716277 0.74 AGBL2 (0.69) NPSR1ALDH1A1HPGDPOLBKDM4E
SCHEMBL8788592 0.73 KMT2A (0.55) PKMNPSR1ALDH1A1GAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024759-A2 IMMUNOMODULATORY COMPOUNDS THAT TARGET AND INHIBIT THE PY+3 BINDING SITE OF TYROSENE KINASE P56 LCK SH2 DOMAIN UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-02-28 WO disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain LCK, PTPN6, PTPN22 PKM 2857/4885NPSR1 2382/4885ALDH1A1 4878/4885
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 PKM 2857/4885NPSR1 2382/4885ALDH1A1 4878/4885

“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.