SCHEMBL2763802

SCHEMBL2763802

CCCCCC#Cc1cccc(C(=O)NC(C)CO)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 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
SCHEMBL2763155 0.91 ACACB (0.48) ACACBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL13302477 0.89 ACACB (0.45) ACACBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL13302481 0.88 ACACB (0.47) ACACBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL13376367 0.88 ACACB (0.47) ACACBHPGDATM
SCHEMBL2623651 0.87 ACACB (0.46) ACACBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL13679735 0.87 ACACB (0.54) ACACBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL13302487 0.86 ACACB (0.43) ACACBHPGDATM
SCHEMBL2763110 0.85 ACACB (0.45) ACACBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2763285 0.85 ACACB (0.44) ACACBSMN1; SMN2ALDH1A1HPGDATM
SCHEMBL17049470 0.85 ACACB (0.58) ACACBSMN1; SMN2ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
EP-2177503-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2013-04-10 EP disclosed
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 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 (4 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 ACACB 3036/4885SMN1; SMN2 261/4885ALDH1A1 3425/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 ACACB 3390/4885SMN1; SMN2 106/4885ALDH1A1 4349/4885
US-20130123356-A1 MODULATOR MRGPRX2, NR3C2, MC2R ACACB 2315/4885SMN1; SMN2 3589/4885ALDH1A1 1637/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 ACACB 3036/4885SMN1; SMN2 261/4885ALDH1A1 3425/4885

“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.