SCHEMBL9846130

SCHEMBL9846130

CCc1c(C)cc(=O)[nH]c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
JAK1 P23458 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL6024645 0.79 KDM4E (0.43) HSD17B10SMN1; SMN2HTTKDM4ELMNA
SCHEMBL5663531 0.74 TNKS2 (0.49) HSD17B10SMN1; SMN2CYP1A2CYP2C19TNKS2
SCHEMBL4928504 0.72 KDM4E (0.47) HSD17B10SMN1; SMN2CYP1A2CYP2C19TNKS2
SCHEMBL7012912 0.70 SMN1; SMN2 (0.38) HSD17B10SMN1; SMN2HTTKDM4ELMNA
SCHEMBL10825430 0.70 GSK3B (0.42) HTTJAK1PDE3BPDE3AALDH1A1
SCHEMBL4145059 0.70 AR (0.49) HSD17B10SMN1; SMN2HTTCYP1A2CYP2C19
SCHEMBL15459460 0.70 HSD17B10 (0.43) HSD17B10SMN1; SMN2HTTCYP1A2KDM4E
SCHEMBL17584937 0.70 KDM4E (0.50) HSD17B10SMN1; SMN2HTTKDM4ELMNA
SCHEMBL1851496 0.68 KDM4E (0.44) HSD17B10SMN1; SMN2CYP1A2CYP2C19TNKS2
SCHEMBL27223933 0.68 KDM4E (0.40) HSD17B10SMN1; SMN2CYP1A2CYP2C19TNKS2

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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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 (3 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HSD17B10 3853/4885SMN1; SMN2 2699/4885HTT 4656/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HSD17B10 3853/4885SMN1; SMN2 2699/4885HTT 4656/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 HSD17B10 4145/4885SMN1; SMN2 2223/4885HTT 4639/4885

“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.