SCHEMBL19085860

SCHEMBL19085860

COCC1COc2ccc(C3(C(=O)OC)CC3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
ALOX5 P09917 1/20 0.36
MALT1 Q9UDY8 2/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL29654164 0.77 MTNR1A (0.51) MTNR1AALOX5MALT1TP53ITGB3
SCHEMBL19085282 0.76 MAOB (0.38) TP53MAPT
SCHEMBL19085245 0.76 CFTR (0.38)
SCHEMBL30630965 0.75 MTNR1A (0.48) MTNR1AALOX5MALT1TP53ITGB3
SCHEMBL1465463 0.74 CTNNB1 (0.43)
SCHEMBL18764225 0.71 ACHE (0.33) LMNA
SCHEMBL20381154 0.71 MTNR1A (0.45) MTNR1AMALT1TP53
SCHEMBL14458379 0.71 CFTR (0.53)
SCHEMBL1465911 0.69 CFTR (0.43) LMNA
SCHEMBL23589300 0.69 MGAM (0.33) LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-10239867-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-26 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 US disclosed
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 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 (8 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-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885
US-10239867-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MTNR1A 2125/4885ALOX5 3605/4885MALT1 4139/4885

“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.