SCHEMBL17716261

SCHEMBL17716261

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)OC(C)OC(=O)CCCCCCC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.55
▸ CNR2 P34972 5/20 0.55
▸ PSMB11 A5LHX3 2/20 0.50
▸ PSMA7 O14818 2/20 0.50
▸ PSMB1 P20618 2/20 0.50
▸ PSMA1 P25786 2/20 0.50
▸ PSMA2 P25787 2/20 0.50
▸ PSMA3 P25788 2/20 0.50
▸ PSMA4 P25789 2/20 0.50
▸ PSMB8 P28062 2/20 0.50
▸ PSMB9 P28065 2/20 0.50
▸ PSMA5 P28066 2/20 0.50
▸ PSMB4 P28070 2/20 0.50
▸ PSMB6 P28072 2/20 0.50
▸ PSMB5 P28074 2/20 0.50
▸ PSMB10 P40306 2/20 0.50
▸ PSMB3 P49720 2/20 0.50
▸ PSMB2 P49721 2/20 0.50
▸ PSMA6 P60900 2/20 0.50
▸ PSMA8 Q8TAA3 2/20 0.50

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
SCHEMBL18250209 0.92 CNR1 (0.52) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL21089981 0.90 CNR1 (0.50) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL30480569 0.90 CNR1 (0.50) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL19865733 0.90 CNR1 (0.50) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL19865784 0.90 CNR1 (0.50) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL17716482 0.88 CNR1 (0.60) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL25685182 0.85 CNR1 (0.55) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL25684813 0.83 CNR1 (0.37) CNR1CNR2ALDH1A1MAPTHPGD
SCHEMBL2678363 0.81 CNR1 (0.74) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL2678367 0.81 CNR1 (0.74) CNR1CNR2PSMB11PSMA7PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 — — EP disclosed
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 — — EP disclosed
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 — — US disclosed
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 — — US disclosed
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2019-06-13 — — US disclosed
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2019-06-13 — — US disclosed
WO-2018029545-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2018-02-15 — — WO 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-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-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
US-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 148/4885PSMB11 1299/4885
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 CNR1 1365/4885CNR2 1080/4885PSMB11 3015/4885
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI CNR1 568/4885CNR2 620/4885PSMB11 2984/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 CNR1 1365/4885CNR2 1080/4885PSMB11 3015/4885
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI CNR1 260/4885CNR2 148/4885PSMB11 1299/4885

“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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