SCHEMBL12778142

SCHEMBL12778142

N#Cc1ccc(F)cc1S(=O)(=O)N1CCOC(CN2CCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ TRPV4 Q9HBA0 3/20 0.37
▸ ACLY P53396 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DPP4 P27487 3/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL12778143 0.82 ALOX5AP (0.40) HTR2AHTR2CKDM4EALOX5APFEN1
SCHEMBL12778084 0.78 KDM4E (0.58) HTR2AHTR2CKDM4ESMN1; SMN2RAB9A
SCHEMBL12778097 0.78 KDM4E (0.58) HTR2AHTR2CKDM4ESMN1; SMN2RAB9A
SCHEMBL12778129 0.77 KDM4E (0.56) HTR2AHTR2CKDM4ETRPV4SMN1; SMN2
SCHEMBL12778088 0.72 HTR2A (0.49) HTR2AHTR2CALOX5APFEN1TRPV4
Hydrochloric Acid SCHEMBL4171084 0.70 ATM (0.47) HTR2AHTR2CKDM4EALOX5APFEN1
SCHEMBL12778115 0.69 NPC1 (0.71) HTR2AHTR2CKDM4ETRPV4SMN1; SMN2
SCHEMBL14530321 0.69 TDO2 (0.58) HTR2AHTR2CKDM4ETRPV4RAB9A
SCHEMBL12778138 0.69 HTR2A (0.43) HTR2AHTR2CKDM4ETRPV4SMN1; SMN2
SCHEMBL12778134 0.69 HTR2A (0.43) HTR2AHTR2CKDM4EALOX5APFEN1

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-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
WO-2007059229-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 — — WO disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — 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-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 HTR2A 4074/4885HTR2C 4122/4885KDM4E 701/4885

“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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