SCHEMBL16992875

SCHEMBL16992875

COC(=O)c1cc(Cl)nc(NCc2ccc(OC)cc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 15/20 0.53
▸ CYP3A4 P08684 15/20 0.53
▸ CYP2C19 P33261 13/20 0.53
▸ TSHR P16473 13/20 0.53
▸ CYP2D6 P10635 13/20 0.53
▸ CLK4 Q9HAZ1 7/20 0.53
▸ LMNA P02545 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ GLA P06280 1/20 0.53
▸ USP2 O75604 8/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HSD17B10 Q99714 5/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48
▸ APLNR P35414 1/20 0.48
▸ ALOX15 P16050 5/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CA1 P00915 1/20 0.46

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
SCHEMBL16992915 0.91 KDM4C (0.54) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL31118682 0.87 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL3717932 0.83 ALDH1A1 (0.57) CLK4ALDH1A1CA1CA2MAPT
SCHEMBL17149371 0.83 TSHR (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL28091611 0.82 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL20092723 0.82 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL23981519 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30273296 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30397014 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL2135922 0.80 KDM4C (0.52) CYP1A2CYP3A4CYP2C19TSHRCYP2D6

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
US-11078193-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2021-08-03 — — US disclosed
EP-3102572-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-10-24 — — EP disclosed
EP-3102572-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-12-14 — — EP disclosed
US-20160347741-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC 2016-12-01 — — US disclosed
WO-2015118057-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 — — WO 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-11078193-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B RB1, SRR, RRP12 CYP1A2 1169/4885CYP3A4 516/4885CYP2C19 1904/4885
US-20160347741-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B RB1, SRR, RRP12 CYP1A2 1169/4885CYP3A4 516/4885CYP2C19 1904/4885

“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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