SCHEMBL25930946

SCHEMBL25930946

CC[C@]1(F)C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.43
KLK7 P49862 2/20 0.42
CTSL P07711 1/20 0.40
ELANE P08246 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL18591202 1.00 FKBP1A (0.43) FKBP1AKLK7CTSLELANEMEN1
SCHEMBL21789824 0.93 FKBP1A (0.43) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL26578523 0.93 FKBP1A (0.43) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL18578273 0.93 FKBP1A (0.43) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL12479568 0.93 FKBP1A (0.43) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL20992276 0.93 FKBP1A (0.43) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL21789819 0.92 FKBP1A (0.44) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL12480917 0.92 FKBP1A (0.42) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL18555320 0.92 FKBP1A (0.44) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL28694655 0.90 FKBP1A (0.41) FKBP1AKLK7CTSLELANEPARP1

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-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH FKBP1A 3009/4885KLK7 2584/4885CTSL 535/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH FKBP1A 3009/4885KLK7 2584/4885CTSL 535/4885

“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.