SCHEMBL21822980

SCHEMBL21822980

CSc1ncnc2c(C3CC3)csc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.37
NOTUM Q6P988 5/20 0.35
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL441091 0.77 GPR35 (0.41) GPR35NOTUMPIP4K2CGPR119NPC1
SCHEMBL441195 0.76 AXL (0.37) GPR35NOTUMALDH1A1PIP4K2CGPR119
SCHEMBL439335 0.76 NOTUM (0.47) NOTUMALDH1A1MAPT
SCHEMBL438091 0.75 GPR35 (0.37) GPR35ALDH1A1PIP4K2CGPR119NPC1
SCHEMBL23519908 0.75 NPC1 (0.47) NOTUMALDH1A1LMNANPC1PKM
SCHEMBL2235502 0.75 ALDH1A1 (0.35) NOTUMALDH1A1LMNAPIP4K2CNPC1
SCHEMBL21823142 0.74 ALDH1A1 (0.36) NOTUMALDH1A1LMNAMAPT
SCHEMBL12432761 0.73 TP53 (0.36) ALDH1A1LMNANPC1PKMMAPT
SCHEMBL21823085 0.73 MAPK1 (0.42) GPR35PIP4K2CGPR119NPC1PKM
SCHEMBL10807053 0.71 HIF1A (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 US disclosed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 EP disclosed
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2021-10-21 US disclosed
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 EP disclosed
WO-2020070181-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2020-04-09 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-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 GPR35 4126/4885NOTUM 4397/4885ALDH1A1 2232/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 GPR35 4126/4885NOTUM 4397/4885ALDH1A1 2232/4885

“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.