SCHEMBL11246492

SCHEMBL11246492

CCCCCCCCCCCCCCCCCCNC(=O)CN

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
NAAA Q02083 1/20 0.62
EPHX1 P07099 7/20 0.61
FAAH O00519 3/20 0.56
SLC6A5 Q9Y345 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RRM1 P23921 1/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52

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
SCHEMBL22776495 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
SCHEMBL1263917 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
SCHEMBL25885398 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
SCHEMBL11594186 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
SCHEMBL3172352 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
SCHEMBL25885394 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
SCHEMBL10708302 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
SCHEMBL29981433 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHSLC6A5
Hydrochloric Acid SCHEMBL23001108 0.98 CASP2 (0.64) CASP2NAAAEPHX1FAAHSLC6A5
Hydrochloric Acid SCHEMBL11638490 0.98 CASP2 (0.64) CASP2NAAAEPHX1FAAHSLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252290-A2 COMPOSITIONS AND METHODS FOR TREATING NOVEL CORONAVIRUS SARS-COV-2-MEDIATED INFLAMMATORY CONDITIONS GRI BIO, INC. (US) 2021-12-16 WO disclosed
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
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
CN-1074746-C Prepn. process of hydrazine hydrate MITSUBISHI GAS CHEMICAL CO (JP) 2001-11-14 CN disclosed
CN-1148027-A Prepn. process of hydrazine hydrate MITSUBISHI GAS CHEMICAL CO (JP) 1997-04-23 CN disclosed
US-4329207-A PYROPHOSPHATES, POLYHYDRIC PHENOLS KIZAI KABUSHIKI KAISHA (JP) 1982-05-11 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 CASP2 248/4885NAAA 2859/4885EPHX1 1570/4885

“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.