SCHEMBL9942953

SCHEMBL9942953

N#CC1(NC(=O)OCc2ccccc2)CCC(F)(CO)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.49
CTSS P25774 6/20 0.49
CTSB P07858 6/20 0.49
CTSK P43235 6/20 0.46
TACR1 P25103 1/20 0.40
PREP P48147 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1018180 0.90 CTSL (0.57) CTSLCTSSCTSBCTSKTACR1
SCHEMBL52449 0.86 CTSS (0.52) CTSLCTSSCTSBCTSK
SCHEMBL9900827 0.84 CTSL (0.63) CTSLCTSSCTSBCTSKTACR1
SCHEMBL30117973 0.83 CTSL (0.53) CTSLCTSSCTSBCTSKTACR1
SCHEMBL51465 0.81 CTSL (0.49) CTSLCTSSCTSBCTSKTACR1
SCHEMBL62133 0.81 CTSS (0.49) CTSLCTSSCTSBCTSKTACR1
SCHEMBL2081142 0.79 MEN1 (0.51) CTSLCTSSCTSBCTSKPREP
SCHEMBL10556366 0.78 CTSL (0.52) CTSLCTSSCTSBCTSK
SCHEMBL87370 0.78 CTSS (0.51) CTSLCTSSCTSBCTSKPREP
SCHEMBL52043 0.78 CTSS (0.48) CTSLCTSSCTSBCTSKPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CTSL 3453/4885CTSS 3030/4885CTSB 2999/4885

“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.