SCHEMBL1104996

SCHEMBL1104996

FC(F)(F)c1ccc(OCc2ccccc2)c(-c2ccnnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.61
▸ PTGER1 P34995 6/20 0.58
▸ CYP2C9 P11712 1/20 0.53
▸ PTGDR2 Q9Y5Y4 3/20 0.52
▸ RXRA P19793 2/20 0.51
▸ RXRB P28702 2/20 0.51
▸ RXRG P48443 2/20 0.51
▸ CYP11B1 P15538 2/20 0.47
▸ CYP11B2 P19099 2/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.46
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL1101410 0.92 LRRK2 (0.53) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL16240249 0.88 RXRA (0.63) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL16239759 0.82 LRRK2 (0.51) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL16240247 0.79 MRGPRX4 (0.55) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL17141480 0.79 PTGER1 (0.53) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL1104997 0.78 SCN9A (0.48) CYP2C9PTGDR2
SCHEMBL5620314 0.74 PTGER1 (1.00) LRRK2PTGER1CYP2C9RXRARXRB
SCHEMBL17141516 0.73 PTGER1 (0.48) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL1331639 0.73 HTR2C (0.58) LRRK2RXRARXRBRXRGHTR2C
SCHEMBL18703359 0.73 MRGPRX4 (0.61) LRRK2PTGER1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 — — EP disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 — — EP disclosed
CN-102348697-B Sulfonamide derivatives PFIZER LTD 2014-12-10 — — CN disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 — — US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 — — US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 — — US disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 — — US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 — — US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 — — US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 — — US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 — — US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 — — US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 — — US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 — — US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 — — US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 — — US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 — — US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 — — US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 — — WO disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 — — 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 LRRK2 3835/4885PTGER1 843/4885CYP2C9 75/4885
US-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 LRRK2 3835/4885PTGER1 843/4885CYP2C9 75/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 LRRK2 3835/4885PTGER1 843/4885CYP2C9 75/4885

“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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