SCHEMBL17817419

SCHEMBL17817419

CCCCCCCCCCCC(=O)Nc1ccsc1C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 1/20 0.60
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60
CDC25B P30305 1/20 0.60
CASP3 P42574 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK8 P45983 4/20 0.59
MAPK10 P53779 4/20 0.59
MAPK9 P45984 3/20 0.59
HTR1A P08908 1/20 0.58
HTR7 P34969 1/20 0.58
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL4959294 0.94 ALDH1A1 (0.63) ALDH1A1KMT2ATDP1MEN1MAPT
SCHEMBL24104683 0.90 MAPK8 (0.62) ALDH1A1KMT2ATDP1MEN1MAPT
SCHEMBL5106577 0.89 KMT2A (0.66) ALDH1A1KMT2ATDP1MEN1MAPT
SCHEMBL4787145 0.82 KMT2A (0.64) ALDH1A1KMT2ATDP1MEN1MAPT
SCHEMBL4958864 0.80 ABCC1 (0.60) ALDH1A1KMT2ATDP1MEN1MAPT
SCHEMBL5294918 0.80 MAPK8 (0.68) ALDH1A1KMT2AMEN1MAPTCASP3
SCHEMBL4749588 0.79 SMN1; SMN2 (0.67) ALDH1A1KMT2AMEN1MAPTCASP3
SCHEMBL7933290 0.79 MAPK8 (0.66) ALDH1A1KMT2AMEN1MAPTCASP3
SCHEMBL28722481 0.79 MAPK8 (0.66) ALDH1A1KMT2AMEN1MAPTCASP3
SCHEMBL16760967 0.79 MAPK8 (0.66) ALDH1A1KMT2AMEN1MAPTCASP3

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 ALDH1A1 999/4885KMT2A 411/4885TDP1 3582/4885

“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.