SCHEMBL2534665

SCHEMBL2534665

Cc1nn(-c2ccsc2)c(-c2ccc(Cl)cc2)c1C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
PIK3CD O00329 1/20 0.35
CNR2 P34972 5/20 0.35
CNR1 P21554 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TYMP P19971 1/20 0.34
PPP1CA P62136 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1431030 0.82 CYP1A2 (0.37) TP53GAAMAPTCYP1A2CYP2C9
SCHEMBL1430934 0.82 CYP1A2 (0.37) TP53GAAMAPTCYP1A2CYP2C9
SCHEMBL1360293 0.77 CNR2 (0.36) TP53GAAMAPTPOLBCNR2
SCHEMBL1359451 0.77 CNR2 (0.38) TP53GAAMAPTCNR2CNR1
SCHEMBL2035679 0.76 BRD4 (0.42) TP53GAAMAPTCNR2CNR1
SCHEMBL2010705 0.70 CNR2 (0.35) MAPTCNR2CNR1SMN1; SMN2TYMP
SCHEMBL2501577 0.70 TYMP (0.33) CNR2CNR1TYMP
SCHEMBL1430672 0.68 RAB9A (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2PTGS2
SCHEMBL11253413 0.63 TDP1 (0.53) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1361986 0.63 TYMP (0.44) MAPTPOLBSMN1; SMN2TYMPPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-10-20 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 (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-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators DDT, HPD, DDC TP53 2476/4885GAA 490/4885MAPT 4198/4885

“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.