SCHEMBL4221271

SCHEMBL4221271

CC(=O)c1cccc(C(=O)OCCl)c1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL4239107 0.84 TSHR (0.63) TSHRALDH1A1NPC1POLBKMT2A
SCHEMBL8587599 0.84 TSHR (0.44) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL10784078 0.80 ALDH1A1 (0.67) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL4629654 0.80 CYP3A4 (0.67) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL10712239 0.80 KMT2A (0.41) TSHRALDH1A1KDM4EPOLBKMT2A
SCHEMBL789770 0.80 KMT2A (0.41) TSHRALDH1A1KDM4EPOLBKMT2A
SCHEMBL7301332 0.79 THRB (0.50) ALDH1A1KDM4EPOLBKMT2AHPGD
SCHEMBL4240186 0.79 TDP1 (0.64) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL2148841 0.78 LMNA (0.57) TSHRALDH1A1KDM4EPOLBKMT2A
SCHEMBL27986491 0.77 TSHR (0.61) TSHRALDH1A1NPC1CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186859-A1 DIAZENIUMDIOLATED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SEC., DEPT. OF HEALTH AND HUMAN SERVICES (MD) 2009-07-23 US disclosed
EP-2010486-A2 DIAZENIUMDIOLATED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, COMPOSITIONS THEREOF, AND RELATED METHODS The Government Of The United States Of America As Representative National Institutes of Health (US) 2009-01-07 EP disclosed
WO-2007127725-A2 DIAZENIUMDIOLATED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, COMPOSITIONS THEREOF, AND RELATED METHODS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-11-08 WO 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 (1 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-20090186859-A1 DIAZENIUMDIOLATED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, COMPOSITIONS THEREOF, AND RELATED METHODS NOS2, NOS1, NOS3 TSHR 2338/4885ALDH1A1 380/4885NPC1 1452/4885

“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.