SCHEMBL5805041

SCHEMBL5805041

[S]Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.58
▸ PNMT P11086 2/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.54
▸ SIGMAR1 Q99720 3/20 0.47
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ AHR P35869 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ DBH P09172 1/20 0.43
▸ FDPS P14324 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL93982 0.79 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL3298586 0.78 IDO1 (0.64) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL407334 0.76 IDO1 (0.61) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL17372921 0.76 IDO1 (0.61) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL29494831 0.76 IDO1 (0.61) IDO1PNMTTAAR1SIGMAR1POLB
Bromide SCHEMBL1964769 0.74 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL92905 0.74 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL9663794 0.74 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL17552687 0.74 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL9788481 0.74 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 — — US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 — — EP disclosed
EP-1023044-B1 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-04 — — EP disclosed
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 — — WO disclosed
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 — — US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 — — EP disclosed
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 — — US disclosed
EP-0949927-B1 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-16 — — EP disclosed
US-5376647-A A pyridyl-sulfur contained-alkylaminomethylene bisphosphonic acid derivatives treating osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 — — US disclosed
EP-0376197-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-12 — — EP disclosed
US-5280022-A Containing an amine group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-18 — — US disclosed
US-5158943-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-27 — — US disclosed
EP-0491374-A1 Bisphosphonic acid derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-24 — — EP disclosed
EP-0464509-A1 Biphosphonic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-01-08 — — EP disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 — — EP disclosed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 — — US disclosed
EP-0376197-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1990-07-04 — — EP disclosed
EP-0155486-A1 1,3,5-Trisubstituted 1,2,4-triazole derivatives, process for their preparation and medicinal preparations containing them ALKALOIDA VEGYéSZETI GYáR (HU) 1985-09-25 — — 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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 IDO1 1709/4885PNMT 694/4885TAAR1 1397/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP IDO1 1533/4885PNMT 330/4885TAAR1 2141/4885

“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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