SCHEMBL22731809

SCHEMBL22731809

O=C(CCl)c1cc(B(O)O)ccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 1/20 0.71
▸ TEAD4 Q15561 1/20 0.71
▸ TEAD2 Q15562 1/20 0.71
▸ MPO P05164 7/20 0.58
▸ RXFP1 Q9HBX9 3/20 0.51
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ MGLL Q99685 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDR P35968 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 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
SCHEMBL29504977 0.84 MPO (0.74) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL22719595 0.84 MPO (0.74) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL30197844 0.83 YAP1 (1.00) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL22731881 0.83 YAP1 (1.00) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL25466740 0.80 YAP1 (0.68) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL22719612 0.78 YAP1 (0.65) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL29505020 0.78 YAP1 (0.65) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL22731808 0.76 YAP1 (0.62) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL24143254 0.74 AKR1C3 (0.76) YAP1TEAD4TEAD2MPORXFP1
SCHEMBL22719664 0.73 TEAD4 (0.68) YAP1TEAD4TEAD2MPORXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 — — US disclosed
WO-2020243423-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 — — 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 (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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 YAP1 111/4885TEAD4 3/4885TEAD2 1/4885

“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.

Send feedback