SCHEMBL17817035

SCHEMBL17817035

CCCCCCCCCCCCCCCCOC(=O)C[n+]1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
DGKA P23743 1/20 0.42
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
PTAFR P25105 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8057987 0.80 NAAA (0.55) NAAARAD52NPSR1FAAHDGKA
Hydrochloric Acid SCHEMBL9742108 0.78 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL12419203 0.74 MEN1 (0.48) NAAARAD52NPSR1FAAHDGKA
SCHEMBL11445709 0.69 KMT2A (0.57) RAD52HTR2CLMNACYP2C9TSHR
SCHEMBL17817259 0.69 KMT2A (0.57) RAD52HTR2CLMNACYP2C9TSHR
SCHEMBL10606851 0.69 KMT2A (0.57) RAD52HTR2CLMNACYP2C9TSHR
SCHEMBL17812546 0.68 NAAA (0.75) NAAARAD52NPSR1FAAHDGKA
SCHEMBL112452 0.68 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL207689 0.68 NAAA (0.75) NAAARAD52NPSR1FAAHDGKA
SCHEMBL187664 0.68 NAAA (0.75) NAAARAD52NPSR1FAAHDGKA

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP 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 NAAA 2859/4885RAD52 4384/4885NPSR1 547/4885

“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.