Sugi Predict

Sugi Predict / Compounds / SCHEMBL534148

SCHEMBL534148

SCHEMBL534148

Fc1cc(F)cc(-c2cc[c]cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.34
▸ CYP17A1 P05093 3/20 0.34
▸ CYP21A2 P08686 3/20 0.34
▸ CYP11B1 P15538 3/20 0.34
▸ PGR P06401 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 1/20 0.30

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
SCHEMBL27637511 0.85 SLC6A4 (0.33) NOTUMSLC6A4SLC6A3NISCHCYP17A1
SCHEMBL534111 0.84 MAP4K4 (0.41) CYP17A1CYP21A2CYP11B1PGRMAP4K4
SCHEMBL12562821 0.80 SLC6A4 (0.45) NOTUMSLC6A4SLC6A3CYP17A1CYP21A2
SCHEMBL27940353 0.80 HDAC3 (0.40) RXRARXRB
SCHEMBL27852526 0.80 ABL1 (0.44) PGRRXRA
SCHEMBL316987 0.78 TAAR1 (0.57) NOTUMNISCHCYP17A1CYP11B1MAP4K4
SCHEMBL433264 0.78 BCL2L1 (0.42) NOTUMCYP11B1PGRCA1CA9
SCHEMBL9559723 0.78 BCL2L1 (0.42) NOTUMCYP11B1PGRCA1CA9
SCHEMBL695872 0.77 ANPEP (0.33) ESR2
SCHEMBL28311259 0.77 TAAR1 (0.55) NOTUMNISCHCYP17A1CYP11B1MAP4K4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438607-B Bicyclic heterocycles as FGFR inhibitors 因赛特公司 2021-02-05 — — CN claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO claimed
CN-113795148-A Stabilization of suspension concentrates by highly sulfonated lignosulfonates 巴斯夫欧洲公司 2021-12-14 — — CN disclosed
CN-107141313-A Transparent oxide electrode and its production method that surface modifier, surface for transparent oxide electrode are modified 信越化学工业株式会社 2017-09-08 — — CN disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 — — US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 — — EP disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 — — US disclosed
CN-103848859-A Surface modifier for transparent oxide electrode, surface-modified transparent oxide electrode, and method for producing same SHINETSU CHEMICAL CO 2014-06-11 — — CN disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 — — US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 — — US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO disclosed
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 — — US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 — — 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 (4 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885SLC6A4 4191/4885SLC6A3 1944/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NOTUM 3548/4885SLC6A4 1757/4885SLC6A3 2433/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 NOTUM 2171/4885SLC6A4 3539/4885SLC6A3 1881/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO NOTUM 2596/4885SLC6A4 4242/4885SLC6A3 3930/4885

“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.