SCHEMBL19867063

SCHEMBL19867063

CC(C)(C)Oc1ccc(C[C@H](NC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.51
ITGB7 P26010 3/20 0.51
CTSL P07711 6/20 0.51
CTSK P43235 1/20 0.51
P2RX7 Q99572 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HTR2A P28223 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSB P07858 2/20 0.46

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
SCHEMBL1221477 0.87 ITGA4 (0.60) ITGA4ITGB7CTSLCTSKMEN1
SCHEMBL19871011 0.87 PPARG (0.50) ITGA4ITGB7CTSLMEN1KMT2A
SCHEMBL1221478 0.87 ITGA4 (0.60) ITGA4ITGB7CTSLCTSKMEN1
SCHEMBL8433969 0.84 CTSL (0.62) ITGA4ITGB7CTSLCTSKP2RX7
SCHEMBL8433892 0.84 CTSL (0.62) ITGA4ITGB7CTSLCTSKP2RX7
SCHEMBL8436808 0.84 CTSL (0.62) ITGA4ITGB7CTSLCTSKP2RX7
SCHEMBL25922264 0.84 PPARG (0.56) CTSLMEN1KMT2A
SCHEMBL7327394 0.84 CTSL (0.57) ITGA4ITGB7CTSLCTSKP2RX7
SCHEMBL10793551 0.84 CTSL (0.57) ITGA4ITGB7CTSLCTSKP2RX7
SCHEMBL1715348 0.84 CTSL (0.57) ITGA4ITGB7CTSLCTSKP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044350-A1 THERAPEUTIC CYCLIC COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 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-20180044350-A1 THERAPEUTIC CYCLIC COMPOUNDS AS IMMUNOMODULATORS PDCD1LG2, PDCD1, CD274 ITGA4 4478/4885ITGB7 3225/4885CTSL 2592/4885

“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.