SCHEMBL17817446

SCHEMBL17817446

CCCCCCCCCCCC(=O)Nc1sc(C)c(CC)c1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
AIP O00170 1/20 0.60
SGTA O43765 1/20 0.60
TOMM70 O94826 1/20 0.60
STIP1 P31948 1/20 0.60
PPP5C P53041 1/20 0.60
FKBP4 Q02790 1/20 0.60
PPID Q08752 1/20 0.60
FKBP5 Q13451 1/20 0.60
FKBP8 Q14318 1/20 0.60
TOMM34 Q15785 1/20 0.60
DNAJC7 Q99615 1/20 0.60
AIPL1 Q9NZN9 1/20 0.60
STUB1 Q9UNE7 1/20 0.60
ALDH1A1 P00352 12/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 6/20 0.55
HPGD P15428 5/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL13711828 0.76 ALDH1A1 (0.50) CYP1A2AIPSGTATOMM70STIP1
SCHEMBL8288688 0.73 ALDH1A1 (0.91) CYP1A2AIPSGTATOMM70STIP1
SCHEMBL3125764 0.72 ALDH1A1 (0.88) CYP1A2AIPSGTATOMM70STIP1
SCHEMBL8288672 0.72 ALDH1A1 (0.93) CYP1A2AIPSGTATOMM70STIP1
SCHEMBL8288697 0.71 ALDH1A1 (0.86) CYP1A2AIPSGTATOMM70STIP1
SCHEMBL17817425 0.69 ALDH1A1 (0.97) AIPSGTATOMM70STIP1PPP5C
SCHEMBL10665672 0.66 HSP90AA1 (0.61) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL10667145 0.66 HSP90AA1 (0.61) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL3869753 0.65 MAPT (0.52) AIPSGTATOMM70STIP1PPP5C
SCHEMBL28737637 0.64 SCD (0.41) CYP1A2MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 CYP1A2 2743/4885AIP 1880/4885SGTA 3770/4885

“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.