SCHEMBL4014810

SCHEMBL4014810

CCCCCCC[CH]CCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
BLM P54132 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GMNN O75496 2/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 2/20 0.39
APEX1 P27695 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
EP300 Q09472 1/20 0.39
THRB P10828 1/20 0.38
FAAH O00519 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
TERT O14746 3/20 0.38
MAPT P10636 2/20 0.38
FABP4 P15090 2/20 0.38

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
SCHEMBL3974601 0.95 TSHR (0.42) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL16673362 0.95 TSHR (0.42) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL11460242 0.91 TSHR (0.37) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL6890254 0.91 TSHR (0.37) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL5066707 0.91 TSHR (0.42) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL4657333 0.91 TSHR (0.42) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL11523097 0.90 TSHR (0.38) TSHRLMNAF7F3
SCHEMBL8350454 0.88 TSHR (0.39) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL5911729 0.88 TSHR (0.36) TSHRFAAHTRPV1F7F3
SCHEMBL17868374 0.86 FAAH (0.54) BLMHSD17B10GMNNUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247608-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 WO disclosed
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-03-05 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
US-7470693-B2 Oxalamide derivatives as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO disclosed
US-20060241104-A1 Oxalamide derivatives as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-10-26 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 (3 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-20060241104-A1 Oxalamide derivatives as kinase inhibitors PDK1, OAT, PDXK TSHR 3492/4885BLM 2863/4885HSD17B10 1042/4885
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS AADAT, ABAT, AASDHPPT TSHR 825/4885BLM 4212/4885HSD17B10 1296/4885
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis AADAT, ABAT, AASDHPPT TSHR 825/4885BLM 4212/4885HSD17B10 1296/4885

“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.