SCHEMBL18615997

SCHEMBL18615997

N#Cc1ccc(Oc2ccc3c(c2)N(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
EPHX2 P34913 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
RAF1 P04049 8/20 0.47
PLA2G7 Q13093 1/20 0.45
BRAF P15056 2/20 0.45
MAPK14 Q16539 1/20 0.45
RET P07949 1/20 0.44
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDK8 P49336 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL18615701 0.93 KDR (0.50) KDRMAPTTP53EPHX2POLB
SCHEMBL18615929 0.91 MAPT (0.48) KDRMAPTTP53EPHX2POLB
SCHEMBL18615705 0.85 MAPT (0.46) KDRMAPTTP53EPHX2POLB
SCHEMBL18615555 0.84 PTGDR2 (0.46) KDRMAPTTP53POLBTHRB
SCHEMBL18615565 0.84 KDR (0.47) KDRMAPTTP53POLBTHRB
SCHEMBL20357558 0.82 MAPT (0.52) MAPTTP53POLBTHRBRAF1
SCHEMBL18615347 0.80 MAPT (0.51) KDRMAPTTP53POLBTHRB
SCHEMBL18615928 0.79 MAPT (0.46) KDRMAPTTP53POLBTHRB
SCHEMBL18615384 0.78 KDR (0.47) KDRMAPTTP53THRBBRAF
SCHEMBL18615372 0.78 KDR (0.46) KDRMAPTTP53POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026035-B Compounds having protein tyrosine phosphatase SHP-1 agonist activity 陈昆锋 2021-03-30 CN disclosed
US-10745346-B2 Agonists of protein tyrosine phosphatase SHP-1 NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2020-08-18 US disclosed
US-10745346-B2 Agonists of protein tyrosine phosphatase SHP-1 NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2020-08-18 US disclosed
US-20180237385-A1 AGONISTS OF PROTEIN TYROSINE PHOSPHATASE SHP-1 NATIONAL TAIWAN UNIVERSITY (TW) 2018-08-23 US disclosed
EP-3345894-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY Chen, Kuenfeng (TW) 2018-07-11 EP disclosed
WO-2017036405-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY 陈昆锋 2017-03-09 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-20180237385-A1 AGONISTS OF PROTEIN TYROSINE PHOSPHATASE SHP-1 PTPRCAP, PTPN18, PTPN1 KDR 621/4885MAPT 4678/4885TP53 424/4885
US-10745346-B2 Agonists of protein tyrosine phosphatase SHP-1 PTPRCAP, PTPN18, PTPN1 KDR 621/4885MAPT 4678/4885TP53 424/4885

“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.