SCHEMBL13054598

SCHEMBL13054598

O=C[C@@H](CO)NC(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC1 Q13547 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ CASP1 P29466 5/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ACE P12821 1/20 0.47
▸ IL1B P01584 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21549032 1.00 CTSB (0.53) CTSBHDAC2HDAC8HDAC6HDAC1
SCHEMBL8357482 0.88 CTSB (0.67) CTSBHDAC2HDAC8HDAC6HDAC1
SCHEMBL7431065 0.86 CASP1 (0.63) CTSBHDAC2HDAC8HDAC6HDAC1
SCHEMBL13055700 0.84 CNR2 (0.56) HDAC8HDAC6CYP1A2
SCHEMBL16566049 0.80 F2 (0.56) CTSBHDAC2HDAC8HDAC6
SCHEMBL5689690 0.80 HDAC2 (0.59) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL19791859 0.79 HDAC2 (0.54) CTSBHDAC2HDAC8HDAC6HDAC1
SCHEMBL18759250 0.79 CTSB (0.55) CTSBHDAC2HDAC8HDAC6MAPT
SCHEMBL10725495 0.79 CTSB (0.57) CTSBHDAC2HDAC8HDAC6HDAC1
SCHEMBL14341581 0.78 CTSG (0.60) CTSBHDAC2HDAC8HDAC6HDAC1

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-20100311711-A1 Inhibitors of NAAA and Methods Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 — — 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 (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-20100311711-A1 Inhibitors of NAAA and Methods Thereof NAAA, NAA50, FAAH CTSB 537/4885HDAC2 465/4885HDAC8 339/4885

“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.

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