SCHEMBL18615701

SCHEMBL18615701

N#Cc1ccc(Oc2ccc3c(c2)OCCN3C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.50
EPHX2 P34913 1/20 0.49
RAF1 P04049 6/20 0.47
PLA2G7 Q13093 1/20 0.45
BRAF P15056 1/20 0.45
MAPK14 Q16539 1/20 0.45
LCK P06239 3/20 0.45
MET P08581 3/20 0.45
TEK Q02763 3/20 0.45
RET P07949 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL18615997 0.93 KDR (0.50) KDREPHX2RAF1PLA2G7BRAF
SCHEMBL18615565 0.91 KDR (0.47) KDRBRAFLCKMETTEK
SCHEMBL18615384 0.85 KDR (0.47) KDRBRAFLCKMETTEK
SCHEMBL18615372 0.84 KDR (0.46) KDRBRAFMAPK14LCKMET
SCHEMBL18615929 0.84 MAPT (0.48) KDREPHX2BRAFMAPTTP53
SCHEMBL18615354 0.80 KDR (0.51) KDRLCKMETTEKMAPT
SCHEMBL18615587 0.79 KDR (0.47) KDRLCKMETTEKMAPT
SCHEMBL18615705 0.78 MAPT (0.46) KDREPHX2BRAFMAPTTP53
SCHEMBL18615555 0.78 PTGDR2 (0.46) KDRBRAFMAPK14MAPTTP53
SCHEMBL15746582 0.77 KDR (0.74) KDREPHX2RAF1BRAFMAPK14

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 621/4885EPHX2 3833/4885RAF1 404/4885
US-10745346-B2 Agonists of protein tyrosine phosphatase SHP-1 PTPRCAP, PTPN18, PTPN1 KDR 621/4885EPHX2 3833/4885RAF1 404/4885

“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.