SCHEMBL10180313

SCHEMBL10180313

CCC(C)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ADRA1D P25100 1/20 0.41
DRD2 P14416 2/20 0.41
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
CA2 P00918 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL23731660 0.87 HDAC4 (0.59) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL18948449 0.86 SMN1; SMN2 (0.46) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL20032397 0.85 CCR5 (0.45) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL10179856 0.85 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL29339852 0.85 ALDH1A1 (0.40) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL13898676 0.84 HDAC4 (0.56) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL18509335 0.84 HDAC4 (0.56) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL84445 0.82 ALDH1A1 (0.47) HDAC4HDAC2HDAC8ALDH1A1GAA
SCHEMBL3465400 0.82 ALDH1A1 (0.42) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL18713706 0.82 HDAC4 (0.50) HDAC4HDAC2HDAC8GAACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US disclosed
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION CASE WESTERN RESERVE UNIVERSITY 2020-07-23 US disclosed
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP 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 (6 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-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 HDAC4 232/4885HDAC2 27/4885HDAC8 802/4885
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES DDT, CYP4X1, CYP4Z1 HDAC4 2250/4885HDAC2 1277/4885HDAC8 2971/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 HDAC4 2250/4885HDAC2 1277/4885HDAC8 2971/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HDAC4 701/4885HDAC2 576/4885HDAC8 1335/4885
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION PDE6A, PDE6H, PDE6D HDAC4 2638/4885HDAC2 3307/4885HDAC8 2616/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 HDAC4 232/4885HDAC2 27/4885HDAC8 802/4885

“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.