SCHEMBL13328522

SCHEMBL13328522

CC(C)OC(=O)NN(Pc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL28636145 0.74 SMN1; SMN2 (0.47) HTTTSHRSMN1; SMN2GAAPDCD1
SCHEMBL20920028 0.72 HTT (0.42) HTTTSHRSMN1; SMN2GAAPDCD1
SCHEMBL13392286 0.71 HTT (0.43) HTTTSHRSMN1; SMN2GAAPDCD1
SCHEMBL31093883 0.70 HTT (0.43) HTTTSHRSMN1; SMN2GAAPDCD1
SCHEMBL11512933 0.70 PTGES (0.43) HTTSMN1; SMN2GAANPC1RAB9A
SCHEMBL31093916 0.70 HTT (0.43) HTTTSHRSMN1; SMN2GAAPDCD1
SCHEMBL31093971 0.70 HDAC1 (0.53) HTTTSHRHDAC1HDAC6CYP2D6
SCHEMBL31093910 0.67 HDAC1 (0.45) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL28413127 0.67 CA12 (0.45) HTTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL28636147 0.66 SMN1; SMN2 (0.51) HTTTSHRSMN1; SMN2GAAPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 HTT 4232/4885TSHR 702/4885SMN1; SMN2 3325/4885

“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.