SCHEMBL7561389

SCHEMBL7561389

Cn1cncc1CC(OCc1ccc(C(=O)O)c(-c2ccc(F)cc2)c1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.36
CAPN1 P07384 1/20 0.35
SYK P43405 1/20 0.33
BRS3 P32247 1/20 0.33
NAMPT P43490 2/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL7568380 0.92 GRM2 (0.36) CTSACAPN1BRS3NAMPTGSK3B
SCHEMBL7564340 0.87 NAMPT (0.36) CAPN1SYKBRS3NAMPTGSK3B
SCHEMBL7561786 0.87 KDM5A (0.35) CTSACAPN1SYKNAMPTCYP11B1
SCHEMBL7565485 0.86 FNTA (0.48)
SCHEMBL7564177 0.85 FNTA (0.38)
SCHEMBL7867254 0.83 FNTA (0.35) CAPN1
SCHEMBL7564332 0.81 IDO1 (0.45) CTSAMAPK1
SCHEMBL7867249 0.81 CAPN1 (0.31) CAPN1MAPK1
SCHEMBL7564001 0.81 CYP11B1 (0.36) CTSACAPN1BRS3NAMPTGSK3B
SCHEMBL7561395 0.79 CTSA (0.38) CTSACAPN1NAMPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-16 US disclosed
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 US disclosed
US-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 US disclosed
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP 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-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA CTSA 3757/4885CAPN1 2607/4885SYK 4635/4885
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA CTSA 3756/4885CAPN1 2255/4885SYK 4623/4885

“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.