SCHEMBL5088978

SCHEMBL5088978

CCCC(Cc1ccc(C2SC(=N)NC2=O)cc1)C(=O)Nc1cccc(C(=O)OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
NAMPT P43490 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
PKM P14618 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
SCHEMBL5093966 0.93 ALDH1A1 (0.44) ALDH1A1HSD17B10USP2MAPK1NPSR1
SCHEMBL446470 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL3914793 0.73 KMT2A (0.55) ALDH1A1HSD17B10MAPK1NPSR1RAB9A
SCHEMBL5088982 0.72 LTB4R2 (0.44) CYP2C9CYP2C19
SCHEMBL7440850 0.70 MAPT (0.60) ALDH1A1HSD17B10USP2MAPK1NPSR1
SCHEMBL5995964 0.69 KMT2A (0.50) ALDH1A1HSD17B10MAPK1NPSR1RAB9A
SCHEMBL7433382 0.67 MAPT (0.56) ALDH1A1HSD17B10USP2MAPK1NPSR1
SCHEMBL14254837 0.67 ALDH1A1 (0.67) ALDH1A1HSD17B10USP2MAPK1NPSR1
SCHEMBL21852511 0.66 ALDH1A1 (0.60) ALDH1A1HSD17B10USP2MAPK1NPSR1
SCHEMBL7152680 0.65 ALDH1A1 (0.64) ALDH1A1HSD17B10USP2MAPK1NPSR1

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-7417052-B2 Phenylene derivative having tetrazole ring or thiazolidinedione ring SANKYO COMPANY, LIMITED (JP) 2008-08-26 US disclosed
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring RENASCIENCE CO., LTD (JP) 2007-05-10 US disclosed
EP-1679310-A1 PHENYLENE DERIVATIVE HAVING TETRAZOLE RING OR THIAZOLIDINEDIONE RING Sankyo Company, Limited (JP) 2006-07-12 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 (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-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 ALDH1A1 53/4885HSD17B10 18/4885USP2 4581/4885

“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.