SCHEMBL972580

SCHEMBL972580

COC(=O)CCc1cccc(I)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
TRPV1 Q8NER1 1/20 0.48
PTPN1 P18031 2/20 0.47
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
IDO1 P14902 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPK8 P45983 1/20 0.41

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
SCHEMBL7173394 0.90 ALDH1A1 (0.47) SIRT2TRPV1CYP4F2CYP4A11CA12
SCHEMBL8043506 0.84 CYP4F2 (0.55) PTPN1CYP4F2CYP4A11TDP1ALDH1A1
SCHEMBL3295184 0.83 SIRT2 (0.51) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL290279 0.83 SLC7A5 (0.55) CYP4F2CYP4A11IDO1KDM4EALDH1A1
SCHEMBL31176252 0.83 IDO1 (0.40) SIRT2TRPV1IDO1TDP1LMNA
SCHEMBL4931492 0.82 THRA (0.46) SIRT2IDO1KDM4EALDH1A1LMNA
SCHEMBL1410879 0.81 SIRT2 (0.52) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL28655132 0.81 SLC7A5 (0.57) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL1124591 0.81 SPR (0.57) SIRT2CYP4F2CYP4A11IDO1KDM4E
SCHEMBL1107166 0.81 SIRT2 (0.52) SIRT2CYP4F2CYP4A11TDP1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
US-8153660-B2 Piperidyl-propane-thiol CCR3 modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-10 US disclosed
EP-2079725-B1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2011-12-14 EP disclosed
EP-1695955-B1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO (JP) 2011-10-12 EP disclosed
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20100317634-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
CN-101540372-A Organic electroluminescent element and display device FUJI XEROX CO LTD 2009-09-23 CN disclosed
US-20090231240-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE FUJI XEROX CO., LTD. (JP) 2009-09-17 US disclosed
EP-2079725-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
WO-2008049874-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 EP disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (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-20100317634-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS CCR3, CCR1, CCRL2 SIRT2 2566/4885TRPV1 58/4885PTPN1 472/4885
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 SIRT2 893/4885TRPV1 460/4885PTPN1 930/4885
US-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 SIRT2 391/4885TRPV1 2053/4885PTPN1 81/4885

“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.