SCHEMBL514807

SCHEMBL514807

CCCCCN(S)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.50
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.38
GBA1 P04062 1/20 0.36
SLC22A1 O15245 2/20 0.35
SLC22A2 O15244 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL513772 0.97 DNM1 (0.55) DNM1TSHRTHRBCA12CA1
SCHEMBL18698846 0.97 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL513958 0.90 TSHR (0.40) DNM1TSHRTHRBCA12CA1
SCHEMBL28172385 0.87 TSHR (0.38) DNM1TSHRTHRBCA12CA1
SCHEMBL27551649 0.85 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL27361878 0.84 LMNA (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL10156863 0.84
SCHEMBL23394617 0.81 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL7494153 0.78
SCHEMBL12379700 0.78

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-1318160-B1 Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use DEGUSSA (DE) 2007-09-26 EP claimed
US-20030135007-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-07-17 US claimed
US-20170137880-A1 METHOD FOR TREATING DEPRESSION AND MAJOR DEPRESSIVE DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-18 US disclosed
EP-3114239-A1 METHOD FOR TREATING DEPRESSION AND MAJOR DEPRESSIVE DISORDER Takeda Pharmaceutical Company Limited (JP) 2017-01-11 EP disclosed
WO-2015134585-A1 METHOD FOR TREATING DEPRESSION AND MAJOR DEPRESSIVE DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-11 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-1275631-B1 Fluorination with aminosulfur trifluorides AIR PROD & CHEM (US) 2006-07-19 EP disclosed
US-20030135007-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-07-17 US disclosed
EP-1275631-A2 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-15 EP disclosed
EP-0908448-B1 Thermally stable aminosulfur trifluorides AIR PROD & CHEM (US) 2001-11-14 EP disclosed
US-6242645-B1 BIOLOGICAL ACTIVITY ENHANCER, DEOXOFLUORINATION AGENT OF INTEREST IN MEDICINAL AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. 2001-06-05 US disclosed
US-6222064-B1 PERFORMING FLUORINATION BY CONTACTING ALCOHOLS, ALDEHYDES, KETONES, EPOXIDES, AND MIXTURES USING A FLUORINATING REAGENT COMPRISING AMINOSULFUR TRIFLUORIDE COMPOUND AIR PRODUCTS AND CHEMICALS, INC. 2001-04-24 US disclosed
US-6207860-B1 FLUORINATING AGENTS, FAR LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT, USEFUL FOR DEOXOFLUORINATION OF ALCOHOLS AND KETONES, AIR PRODUCTS AND CHEMICALS, INC. 2001-03-27 US disclosed
US-6080886-A STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-06-27 US disclosed
EP-0908448-A1 Thermally stable aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-04-14 EP disclosed
EP-0905109-A1 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-03-31 EP 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 (2 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-20170137880-A1 METHOD FOR TREATING DEPRESSION AND MAJOR DEPRESSIVE DISORDER CXXC4, ZFX, DSC1 DNM1 573/4885TSHR 3295/4885THRB 2353/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 DNM1 1708/4885TSHR 307/4885THRB 2094/4885

“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.