SCHEMBL3682302

SCHEMBL3682302

CC(=O)SOc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 7/20 0.59
HSD17B10 Q99714 6/20 0.59
HPGD P15428 5/20 0.59
ESR1 P03372 1/20 0.59
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
HMGB1 P09429 1/20 0.59
TSHR P16473 1/20 0.59
GGT1 P19440 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
BLM P54132 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTT P42858 2/20 0.51
CA12 O43570 2/20 0.50

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
SCHEMBL29402606 0.84 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL9257340 0.82 SLC6A3 (0.54) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL11358522 0.81 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL212177 0.81 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL27931686 0.81 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL144897 0.80 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDESR1
Ammonia Solution, Strong SCHEMBL28040604 0.79 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL3022599 0.79 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL1308799 0.77 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL11108804 0.77 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDESR1

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
US-8703750-B2 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2014-04-22 US disclosed
US-20100317519-A1 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2010-12-16 US disclosed
US-20070173459-A1 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2007-07-26 US disclosed
US-6211212-B1 DRUGS WITH AMIDE AND ESTER GROUPS AS ENZYME INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-03 US disclosed
EP-0970062-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO disclosed
US-4221800-A ANTIALLERGENS, ANTIHISTAMINES MILES LABORATORIES, INC. (US) 1980-09-09 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 (2 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-20070173459-A1 Mixtures and methods for the induction of resistance in plants SLC11A2, MYD88, ME2 KDM4E 4408/4885ALDH1A1 2944/4885HSD17B10 2526/4885
US-20100317519-A1 Mixtures and methods for the induction of resistance in plants SLC11A2, MYD88, ME2 KDM4E 4408/4885ALDH1A1 2944/4885HSD17B10 2526/4885

“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.