SCHEMBL13159097

SCHEMBL13159097

CCCN(c1nc(=O)c2ccccc2s1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ C1R P00736 2/20 0.44
▸ PRSS1 P07477 2/20 0.44
▸ ESR1 P03372 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C8 P10632 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C18 P33260 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL13159092 0.77 KMT2A (0.57) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL13159134 0.75 ALDH1A1 (0.43) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL11354549 0.75 GAA (0.54) KMT2ACYP2C19MEN1C1RPRSS1
SCHEMBL13159150 0.72 ALDH1A1 (0.53) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL13159162 0.72 KMT2A (0.57) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL13159098 0.72 KMT2A (0.69) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL13159182 0.72 ALDH1A1 (0.52) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL13159102 0.72 KMT2A (0.48) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL13159090 0.71 ALDH1A1 (0.68) KMT2ACYP2C19MEN1RECQLCYP1A2
SCHEMBL1098503 0.71 TDP1 (0.49) KMT2ACYP2C19MEN1C1RPRSS1

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
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 — — US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 — — 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-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 KMT2A 2658/4885CYP2C19 174/4885MEN1 3150/4885

“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.

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