SCHEMBL16733792

SCHEMBL16733792

O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 2/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL16458858 0.83 SMN1; SMN2 (0.47) LMNATSHRPOLBALDH1A1GAA
SCHEMBL16478277 0.80 TSHR (0.44) LMNATSHRPOLBALDH1A1GAA
SCHEMBL23294420 0.76 KMT2A (0.60) LMNATSHRHTTPOLBKDM4E
SCHEMBL15544302 0.75 TSHR (0.41) LMNATSHRPOLBKDM4EALDH1A1
SCHEMBL5245605 0.74 GAA (0.50) LMNATSHRPOLBKDM4EALDH1A1
SCHEMBL16735251 0.72 LMNA (0.62) LMNATSHRHTTPOLBKDM4E
SCHEMBL289534 0.71 LMNA (0.82) LMNATSHRHTTPOLBKDM4E
SCHEMBL15555806 0.70 CYP2C9 (0.39) TSHRPOLBALDH1A1MAPTCYP2C9
SCHEMBL29483654 0.70 NPSR1 (0.67) TSHRKDM4EALDH1A1MAPTCYP2C9
SCHEMBL100316 0.70 ALDH1A1 (0.62) LMNATSHRHTTPOLBKDM4E

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
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 US disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 US disclosed
EP-2876109-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Yuhan Corporation (KR) 2015-05-27 EP 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-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR OPRM1 3917/4885OPRD1 3971/4885LMNA 3204/4885

“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.