SCHEMBL13054604

SCHEMBL13054604

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ CTSB P07858 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HDAC1 Q13547 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ HDAC3 O15379 1/20 0.47

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
SCHEMBL13054596 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL7300117 0.90 HDAC2 (0.51) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL16360050 0.86 SMN1; SMN2 (0.55) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL19791859 0.83 HDAC2 (0.54) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL7772333 0.79 ALDH1A1 (0.66) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL6138017 0.79 MME (0.55) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL24114487 0.78 SMN1; SMN2 (0.58) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL18759290 0.78 SMN1; SMN2 (0.58) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL10934105 0.78 CTSB (0.40) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL17992845 0.77 CYP3A4 (0.43) RAB9ACYP3A4

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 SMN1; SMN2 2821/4885HDAC2 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.

Send feedback