SCHEMBL20846416

SCHEMBL20846416

CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\c1cccc(C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 1/20 0.70
▸ ITGB3 P05106 2/20 0.66
▸ ITGAV P06756 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ DUSP26 Q9BV47 3/20 0.60

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
SCHEMBL12717765 0.84 PTP4A3 (0.83) PTP4A3ITGB3ITGAVKDM4EMEN1
SCHEMBL30117305 0.82 PTP4A3 (1.00) PTP4A3ITGB3ITGAVKDM4EMEN1
SCHEMBL12717644 0.79 ITGB3 (1.00) PTP4A3ITGB3ITGAVKDM4EMEN1
SCHEMBL12177369 0.79 LMNA (0.62) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL12177489 0.76 ALDH1A1 (0.57) PTP4A3ITGB3ITGAVKDM4EMEN1
SCHEMBL14883359 0.74 ITGB3 (1.00) PTP4A3ITGB3ITGAVMEN1ALDH1A1
SCHEMBL12177391 0.74 PTPN2 (0.57) PTP4A3ITGB3ITGAVKDM4EMEN1
SCHEMBL14876908 0.74 ITGB3 (1.00) PTP4A3ITGB3ITGAVMEN1ALDH1A1
SCHEMBL14876910 0.74 ITGB3 (1.00) PTP4A3ITGB3ITGAVMEN1ALDH1A1
SCHEMBL12717615 0.74 ITGB3 (1.00) PTP4A3ITGB3ITGAVMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092723-A1 CHEMICAL MODULATORS OF STORE-OPERATED CALCIUM CHANNELS AND THEIR THERAPEUTIC APPLICATIONS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-03-28 — — 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 (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-20190092723-A1 CHEMICAL MODULATORS OF STORE-OPERATED CALCIUM CHANNELS AND THEIR THERAPEUTIC APPLICATIONS ORAI1, SARAF, CACNA1C PTP4A3 2267/4885ITGB3 3445/4885ITGAV 3442/4885

“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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