SCHEMBL1828989

SCHEMBL1828989

O=C(Nc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.63
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TRPV1 Q8NER1 6/20 0.55
MITF O75030 1/20 0.54
PTPN11 Q06124 3/20 0.53
PTPN2 P17706 1/20 0.53
PTPN6 P29350 1/20 0.52
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50

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
SCHEMBL27656468 0.90 TRPV1 (0.66) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL1829494 0.85 TRPV1 (0.60) NPC1RAB9APOLBTDP1TRPV1
SCHEMBL27635480 0.84 MEN1 (0.59) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL1827871 0.82 LMNA (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23226706 0.81 STING1 (0.75) PTPN1MEN1KMT2APOLB
SCHEMBL23226833 0.80 TRPV1 (0.49) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL5964783 0.80 ALDH1A1 (0.51) NPC1RAB9APOLBTDP1TRPV1
SCHEMBL5944298 0.80 HDAC6 (0.56)
SCHEMBL1828384 0.80 TRPV1 (0.60) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL30679727 0.79 NR3C1 (0.52) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP claimed
EP-1651232-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-06-06 EP claimed
EP-1653968-A4 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS CORP (US) 2006-09-06 EP claimed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 EP claimed
EP-1651232-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-05-03 EP claimed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 US claimed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US claimed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO claimed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO claimed
WO-2023223738-A1 METHOD FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION, METHOD FOR DETERMINING MOLDABILITY OF THERMOPLASTIC RESIN COMPOSITION, AND THERMOPLASTIC RESIN COMPOSITION FOR MOLDING AT TEMPERATURE THAT IS NOT LESS THAN DECOMPOSITION TEMPERATURE OF ELASTOMER ポリプラスチックス株式会社 2023-11-23 WO disclosed
WO-2019139061-A1 PIPE-SHAPED INTEGRALLY MOLDED ARTICLE AND PRODUCTION METHOD FOR PIPE-SHAPED INTEGRALLY MOLDED ARTICLE 東レ株式会社 2019-07-18 WO disclosed
WO-2015056393-A1 POLYAMIDE RESIN COMPOSITION, MANUFACTURING METHOD, AND MOLDED ARTICLE 東レ株式会社 2015-04-23 WO disclosed
WO-2015046324-A1 POLYARYLENE SULFIDE RESIN COMPOSITION 東レ株式会社 2015-04-02 WO disclosed
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 US disclosed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 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-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F PTPN1 2149/4885NPC1 337/4885RAB9A 841/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 PTPN1 438/4885NPC1 142/4885RAB9A 1725/4885
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, PTPN3, FKBP3 PTPN1 11/4885NPC1 405/4885RAB9A 1662/4885

“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.