SCHEMBL165901

SCHEMBL165901

CCCS(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEP1B Q16820 1/20 0.50
CA2 P00918 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
TBXA2R P21731 1/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AKR1B1 P15121 1/20 0.45
KDM4E B2RXH2 2/20 0.45
RORC P51449 1/20 0.44
GAA P10253 2/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL23193744 0.90 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10MEP1BCA2
SCHEMBL165384 0.87 PSIP1 (0.57) ALDH1A1HPGDHSD17B10MEP1BCA2
SCHEMBL20709277 0.86 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL27450030 0.84 ALDH1A1 (0.50) ALDH1A1CA2GAALMNAKMT2A
SCHEMBL10061269 0.84 CA2 (0.56) ALDH1A1HPGDHSD17B10MEP1BCA2
SCHEMBL163450 0.83 HTT (0.51) ALDH1A1HPGDHSD17B10MEP1BCA2
SCHEMBL16799605 0.80 PTGDR2 (0.46) ALDH1A1HPGDHSD17B10AKR1B1
SCHEMBL2665987 0.80 KMT2A (0.53) ALDH1A1HSD17B10NPSR1KDM4ERORC
SCHEMBL28906881 0.79 CA2 (0.53) ALDH1A1CA2RORCKMT2A
SCHEMBL14744352 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EGAALMNA

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-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
EP-3077372-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-10-12 EP disclosed
WO-2015082533-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2015-06-11 WO disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
US-20040181067-A1 Tri(cyclo) substituted amide compounds OSI PHARMACEUTICALS, INC. 2004-09-16 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-20040181067-A1 Tri(cyclo) substituted amide compounds GPR119, IAPP, SLC5A1 ALDH1A1 1595/4885HPGD 1237/4885HSD17B10 531/4885
US-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 ALDH1A1 1438/4885HPGD 1549/4885HSD17B10 3716/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB ALDH1A1 1054/4885HPGD 4602/4885HSD17B10 1173/4885

“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.