SCHEMBL22658446

SCHEMBL22658446

CCOC(=O)c1nc(C(C)C)sc1NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 2/20 0.43
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.40
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL28979284 0.81 GAA (0.52) ALDH1A1CYP1A2GAALMNAHPGD
SCHEMBL13263371 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2GAALMNATSHR
SCHEMBL15286415 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2GAALMNATSHR
SCHEMBL29660779 0.80 ALDH1A1 (0.62) ALDH1A1CYP1A2GAALMNAHPGD
SCHEMBL5731919 0.79 MEN1 (0.45) ALDH1A1CYP1A2GAALMNAHPGD
SCHEMBL11869242 0.79 ALDH1A1 (0.45) ALDH1A1CYP1A2GAALMNATSHR
SCHEMBL2827636 0.79 ALDH1A1 (0.53) ALDH1A1CYP1A2GAALMNAHPGD
SCHEMBL22658875 0.79 ALDH1A1 (0.45) ALDH1A1CYP1A2GAALMNATSHR
SCHEMBL2832750 0.76 ALDH1A1 (0.48) ALDH1A1GAALMNAHPGDKDM4E
SCHEMBL28688872 0.75 GAA (0.44) ALDH1A1CYP1A2GAATSHRHPGD

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
EP-3965803-B1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS DANA FARBER CANCER INST INC (US) 2025-08-20 EP disclosed
US-12365696-B2 Small-molecule focal adhesion kinase (FAK) inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-07-22 US disclosed
US-20220242882-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-08-04 US disclosed
EP-3965803-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS Dana-Farber Cancer Institute, Inc. (US) 2022-03-16 EP disclosed
CN-113811324-A Small molecule Focal Adhesion Kinase (FAK) inhibitors 达纳-法伯癌症研究公司 2021-12-17 CN disclosed
WO-2020231726-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 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-12365696-B2 Small-molecule focal adhesion kinase (FAK) inhibitors PTK2, CTTN, TNK2 ALDH1A1 2836/4885CYP1A2 4860/4885GAA 2773/4885
US-20220242882-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS PTK2, CTTN, TNK2 ALDH1A1 2836/4885CYP1A2 4860/4885GAA 2773/4885

“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.