SCHEMBL7967599

SCHEMBL7967599

N#CCS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
KIF11 P52732 3/20 0.46
HSD11B1 P28845 2/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.41
MAPT P10636 1/20 0.41
CA9 Q16790 1/20 0.41
CYP19A1 P11511 1/20 0.41
LGMN Q99538 1/20 0.40
RORC P51449 1/20 0.40
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL15299574 0.86 RORC (0.40) MMP1HSD11B1CA1CA2MAPT
SCHEMBL4073443 0.81 ALDH1A1 (0.51) CA1CA2MAPTLGMN
SCHEMBL8429719 0.80 CA1 (0.51) MMP1CA1CA2
SCHEMBL2320786 0.79 PSEN1 (0.46) MMP1HSD11B1CA1CA2
SCHEMBL4073629 0.77 MMP2 (0.50) MMP1KIF11MAPTBCHEACHE
SCHEMBL3247012 0.76 ALDH1A1 (0.50) MMP1HSD11B1CA1CA2CA12
SCHEMBL12013127 0.76 RORC (0.54) MMP1KIF11HSD11B1CA1CA2
SCHEMBL1958962 0.75 KIF11 (0.51) KIF11CA1CA2CA9RORC
SCHEMBL4074745 0.75 ENPP2 (0.45)
SCHEMBL4079205 0.75 F2 (0.41) MMP1CA1CA2CA12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675663-A Preparation method of coumarin compound and application of coumarin compound in neuroprotection 兰州交通大学 2023-09-01 CN claimed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO claimed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO disclosed
US-11552334-B1 Nitrogen-containing compounds as additives for silicon-based Li-ion batteries ENEVATE CORPORATION (US) 2023-01-10 US disclosed
US-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES BioVersys AG (CH) 2022-01-27 US disclosed
WO-2020109350-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES BioVersys AG (CH) 2020-06-04 WO disclosed
US-10059713-B2 3-substituted 2-amino-indole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-28 US disclosed
US-9908846-B2 Composition, synthesis, and use of new arylsulfonyl isonitriles DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-03-06 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
EP-3160965-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
CN-106488919-A 3-substituted 2-aminoindole derivatives 武田药品工业株式会社 2017-03-08 CN disclosed
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 US disclosed
WO-2013148813-A1 TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-03 WO disclosed
US-6225346-B1 FOR THERAPY AND PROPHYLAXIS OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. 2001-05-01 US disclosed
US-5935993-A TYROSINE KINASE INHIBITORS; TREATMENT OF CELL GROWTH, CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1999-08-10 US disclosed
US-5891917-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. (US) 1999-04-06 US disclosed
US-5886195-A REACTING AN APPROPRIATE CARBOXALDEHYDE WITH AN APPROPRIATE SULFONYLACETONITRILE SUGEN, INC. (US) 1999-03-23 US disclosed
US-5710173-A ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS SUGEN, INC. (US) 1998-01-20 US disclosed
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 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 (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-10059713-B2 3-substituted 2-amino-indole derivatives NPY5R, XDH, NPY4R MMP1 3287/4885KIF11 3194/4885HSD11B1 2719/4885
US-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES OR10J3, ORC3, CBR3 MMP1 4500/4885KIF11 748/4885HSD11B1 1689/4885
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES SRMS, AADAC, CYP3A4 MMP1 2372/4885KIF11 1442/4885HSD11B1 1720/4885
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES NPY5R, XDH, NPY4R MMP1 3287/4885KIF11 3194/4885HSD11B1 2719/4885

“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.