SCHEMBL800435

SCHEMBL800435

CCC(NC(=O)OCc1ccccc1)c1nc(-c2cccc(Br)n2)co1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
AAK1 Q2M2I8 1/20 0.43
TACR1 P25103 1/20 0.42
SYK P43405 1/20 0.39
MAP3K5 Q99683 1/20 0.39
CTSK P43235 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL800979 0.77 ATM (0.39) ATMTACR1CTSKCTSLCTSB
SCHEMBL1185401 0.72 ATM (0.54) ATMAAK1TACR1SYKCTSK
SCHEMBL7324987 0.72 ATM (0.54) ATMAAK1TACR1SYKCTSK
SCHEMBL12299153 0.71 CTSL (0.45) ATMTACR1CTSKCTSLCTSB
SCHEMBL23006720 0.71 CTRB1 (0.57) ATMSYKCTSKCTSLCTSB
SCHEMBL800463 0.70 MAPT (0.44) ATMTACR1CTSKCTSLCTSB
SCHEMBL7421358 0.67 FPR2 (0.51) ATMAAK1TACR1SYKCTSK
SCHEMBL265512 0.67 CTSK (0.64) TACR1SYKCTSKCTSLCTSB
SCHEMBL8896054 0.67 SYK (0.55) ATMSYKCTSKCTSLCTSB
SCHEMBL2895983 0.67 CTSK (0.64) TACR1SYKCTSKCTSLCTSB

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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 (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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 ATM 1276/4885AAK1 3541/4885TACR1 3235/4885

“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.