SCHEMBL17716482

SCHEMBL17716482

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(=O)c1cc(NC(=O)CCCCCCC)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.60
▸ CNR2 P34972 5/20 0.60
▸ MAPT P10636 3/20 0.54
▸ PSMB11 A5LHX3 2/20 0.54
▸ PSMA7 O14818 2/20 0.54
▸ PSMB1 P20618 2/20 0.54
▸ PSMA1 P25786 2/20 0.54
▸ PSMA2 P25787 2/20 0.54
▸ PSMA3 P25788 2/20 0.54
▸ PSMA4 P25789 2/20 0.54
▸ PSMB8 P28062 2/20 0.54
▸ PSMB9 P28065 2/20 0.54
▸ PSMA5 P28066 2/20 0.54
▸ PSMB4 P28070 2/20 0.54
▸ PSMB6 P28072 2/20 0.54
▸ PSMB5 P28074 2/20 0.54
▸ PSMB10 P40306 2/20 0.54
▸ PSMB3 P49720 2/20 0.54
▸ PSMB2 P49721 2/20 0.54
▸ PSMA6 P60900 2/20 0.54

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
SCHEMBL17716261 0.88 CNR1 (0.55) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL2678367 0.85 CNR1 (0.74) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL21913537 0.85 ADORA3 (0.46) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL2678363 0.85 CNR1 (0.74) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL10602106 0.84 CNR1 (0.66) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL13251639 0.81 CNR1 (0.57) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL1822035 0.81 CNR1 (0.57) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL1822036 0.81 CNR1 (0.57) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL2677644 0.81 CNR1 (0.59) CNR1CNR2MAPTPSMB11PSMA7
SCHEMBL2677643 0.81 CNR1 (0.59) CNR1CNR2MAPTPSMB11PSMA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852570-B1 COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LTD (IN) 2020-04-22 — — EP disclosed
US-9498461-B2 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-11-22 — — US disclosed
US-9333187-B1 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-05-10 — — US disclosed
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 — — US disclosed
US-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 — — 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-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI CNR1 260/4885CNR2 148/4885MAPT 431/4885
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI CNR1 260/4885CNR2 148/4885MAPT 431/4885

“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.

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