Sugi Predict

Sugi Predict / Compounds / SCHEMBL18615367

SCHEMBL18615367

SCHEMBL18615367

N#CCc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 3/20 0.61
▸ KDR P35968 8/20 0.54
▸ BRAF P15056 4/20 0.54
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ AR P10275 1/20 0.47
▸ RAF1 P04049 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ IL18 Q14116 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ WRN Q14191 1/20 0.45

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
SCHEMBL18615563 0.88 KDR (0.67) CDK8KDRBRAFLMNAMAPT
SCHEMBL18615982 0.83 KMT2A (0.64) LMNAMAPTNPC1HTTKDM4E
SCHEMBL18615336 0.83 KDR (0.52) CDK8KDRBRAFLMNAMAPT
SCHEMBL18615357 0.82 KDR (0.67) CDK8KDRBRAFLMNAMAPT
SCHEMBL939171 0.80 CDK8 (0.70) CDK8KDRBRAFRAF1MEN1
SCHEMBL4110329 0.79 NPC1 (0.67) KDRLMNAMAPTNPC1HTT
SCHEMBL18615379 0.79 MAPT (0.57) KDRLMNAMAPTNPC1HTT
SCHEMBL18615376 0.78 MAPT (0.60) KDRLMNAMAPTNPC1HTT
SCHEMBL18615612 0.78 KDM4E (0.56) CDK8KDRBRAFLMNAMAPT
SCHEMBL18615359 0.78 KDM4E (0.55) CDK8KDRBRAFLMNAMAPT

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 CDK8 2469/4885KDR 621/4885BRAF 374/4885
US-10745346-B2 Agonists of protein tyrosine phosphatase SHP-1 PTPRCAP, PTPN18, PTPN1 CDK8 2469/4885KDR 621/4885BRAF 374/4885

“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.