SCHEMBL2446550

SCHEMBL2446550

O=C(O)c1cc(Br)c(F)c(S(=O)(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
HTT P42858 1/20 0.39
TPMT P51580 2/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ACLY P53396 5/20 0.35
HCAR1 Q9BXC0 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CDC25B P30305 1/20 0.35

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
SCHEMBL3854379 0.83 TTR (0.46) TTRHTTTPMTLCKFYN
SCHEMBL3529583 0.82 CES2 (0.42) TTRHTTTPMTLCKFYN
SCHEMBL25171764 0.81 TTR (0.62) TTRHTTTPMTLCKFYN
SCHEMBL30122236 0.81 TTR (0.62) TTRHTTTPMTLCKFYN
SCHEMBL10934779 0.81 TTR (0.47) TTRTPMTLCKFYNACLY
SCHEMBL31737744 0.79 TTR (0.46) TTRHTTTPMTLCKFYN
SCHEMBL4847370 0.79 TTR (0.62) TTRTPMTLCKFYNHCAR1
SCHEMBL2448845 0.75 TDP1 (0.56) PKMSMN1; SMN2
SCHEMBL980562 0.75 HTT (0.59) TTRHTTCA12CA1CA2
SCHEMBL16581044 0.74 CASP6 (0.46) TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017782-B2 hypogonadism and male infertility; ovulation induction N.V. ORGANON (NL) 2011-09-13 US disclosed
CN-101212971-B 4-phenyl-5-0x0-l,4,5,6,7,8-hexahydr0quin0line derivatives as medicaments for the treatment of infertility ORGANON NV 2010-12-08 CN disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20080262033-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility MERCK SHARP & DOHME B.V. (NL) 2008-10-23 US disclosed
EP-1879581-B1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-09-03 EP disclosed
CN-101212971-A 4-phenyl-5-0x0-l,4,5,6,7,8-hexahydr0quin0line derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 CN disclosed
EP-1879581-A1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-23 EP disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2006117371-A1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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 (3 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-20080262033-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility KCNQ5, SRD5A1, KCNQ1 TTR 3744/4885HTT 919/4885TPMT 42/4885
US-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP TTR 3324/4885HTT 2451/4885TPMT 2365/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 TTR 3846/4885HTT 1371/4885TPMT 464/4885

“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.