SCHEMBL19742749

SCHEMBL19742749

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1OCC(C)(C)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.39
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL19753984 0.89 ALOX5 (0.41) TBXA2RALDH1A1TAAR1ITGA4ITGB7
SCHEMBL28288991 0.80 TBXA2R (0.35) TBXA2RALDH1A1TAAR1ITGA4ITGB7
SCHEMBL19742711 0.80 RAB9A (0.50) ALDH1A1TAAR1KDM4ERAB9ACYP1A2
SCHEMBL19742710 0.77 ALDH1A1 (0.41) TBXA2RALDH1A1ITGA4ITGB7CYP1A2
SCHEMBL19742671 0.77 NPBWR1 (0.38) ALDH1A1TAAR1NPBWR1MCHR1PTGDR2
SCHEMBL19753987 0.76 RAB9A (0.46) ALDH1A1ITGA4ITGB7RAB9A
SCHEMBL18260808 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2POLB
SCHEMBL28288993 0.74 KMT2A (0.41) ALDH1A1TAAR1NPBWR1MCHR1RAB9A
SCHEMBL19753983 0.73 ALOX5 (0.38) TBXA2RALDH1A1TAAR1ITGA4ITGB7
SCHEMBL30279951 0.70 NPBWR1 (0.42) TBXA2RALDH1A1NPBWR1MCHR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 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 (2 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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 TBXA2R 837/4885ALDH1A1 4009/4885TAAR1 2158/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 TBXA2R 837/4885ALDH1A1 4009/4885TAAR1 2158/4885

“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.