SCHEMBL17478253

SCHEMBL17478253

CC1=C(C(=O)O)C(c2ccc(Cl)c(Cl)c2)CC(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.55
ROCK1 Q13464 2/20 0.55
RPS6KA1 Q15418 2/20 0.55
LMNA P02545 1/20 0.52
GPBAR1 Q8TDU6 3/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 6/20 0.49
TSHR P16473 1/20 0.45
ALOX15 P16050 1/20 0.44
BACE1 P56817 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3887062 0.86 HTT (0.51) RPS6KB1ROCK1RPS6KA1LMNAGPBAR1
SCHEMBL3888823 0.86 GPBAR1 (0.65) LMNAGPBAR1HTTTP53TSHR
SCHEMBL4056646 0.84 LMNA (0.53) RPS6KB1ROCK1RPS6KA1LMNAGPBAR1
SCHEMBL7928701 0.82 ADRA1A (0.52) LMNAGPBAR1HTTTP53
SCHEMBL5661329 0.82 ADRA1A (0.52) LMNAGPBAR1HTTTP53
SCHEMBL8004288 0.82 ADRA1A (0.52) LMNAGPBAR1HTTTP53
SCHEMBL4312703 0.81 RPS6KB1 (0.58) RPS6KB1ROCK1RPS6KA1LMNAGPBAR1
SCHEMBL17478072 0.80 LMNA (0.49) RPS6KB1ROCK1RPS6KA1LMNAGPBAR1
SCHEMBL3342133 0.80 LMNA (0.58) RPS6KB1ROCK1RPS6KA1LMNAGPBAR1
SCHEMBL17782167 0.80 TP53 (0.56) LMNAGPBAR1TP53TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3174872-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-06-07 EP disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 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-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR RPS6KB1 3039/4885ROCK1 4387/4885RPS6KA1 3085/4885

“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.