SCHEMBL3634910

SCHEMBL3634910

CS(=O)(=O)OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TP53 P04637 1/20 0.32
PGD P52209 1/20 0.32

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
SCHEMBL10476484 0.85 ALDH1A1 (0.46) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL6523961 0.85 ALDH1A1 (0.46) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL20742048 0.81 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1PGD
SCHEMBL1794070 0.79 TSHR (0.41) TSHR
SCHEMBL14498319 0.79 ALDH1A1 (0.46) ALDH1A1SLC1A3SLC1A2SLC1A1TP53
SCHEMBL9437852 0.77 TSHR (0.39) TSHRPGD
Benzene SCHEMBL9474100 0.76 TSHR (0.38) TSHRTP53
SCHEMBL596399 0.73 TSHR (0.39) TSHRSLC1A3SLC1A2SLC1A1TP53
SCHEMBL7290471 0.70 SLC1A3 (0.54) TSHRSLC1A3SLC1A2SLC1A1TP53
SCHEMBL722389 0.70 SLC1A3 (0.54) TSHRSLC1A3SLC1A2SLC1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065173-A1 Pyridone-fused azabicyclic- or cytisine derivatives, their preparation and their use in addiction therapy O'NEILL BRIAN T (US) 2003-04-03 US claimed
WO-2024128359-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF BONE DISEASES 전남대학교산학협력단 2024-06-20 WO disclosed
WO-2024128335-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES 전남대학교산학협력단 2024-06-20 WO disclosed
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed
US-20080280981-A1 Tranexamic acid formulations XANODYNE PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US disclosed
US-20060094904-A1 Reacting methyl 3-(2-benzyloxy-5-methyl phenyl)-3-phenylpropionate with a reducing agent to form 3-(2-benzyloxy-5-methylphenyl)-3-phenylpropanol DR. REDDY'S LABORATORIES LIMITED (IN) 2006-05-04 US disclosed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
WO-1995002607-A1 7-SUBSTITUTED-Δ4-6-AZASTEROID DERIVATIVES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1995-01-26 WO disclosed
WO-1994021614-A1 SUBSTITUTED 3-PHENANTHRIDINONE DERIVATIVES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-09-29 WO disclosed
WO-1994014438-A1 HYDANTOIN AND SUCCINIMIDE-SUBSTITUTED DERIVATIVES OF SPIROINDANYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1994-07-07 WO disclosed
WO-1994007496-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-14 WO disclosed
WO-1993006092-A1 PIPERAZINYL (SULFONYL)AMIDE DERIVATIVES OF CAMPHOR AS OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1993-04-01 WO disclosed
US-5137904-A Useful in the treatment of atherosclerosis and thrombosis G. D. SEARLE & CO. (US) 1992-08-11 US disclosed
EP-0486280-A2 Piperidinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1992-05-20 EP disclosed
WO-1992007821-A1 DIASTEREOISOMERS OF BICYCLO-SUBSTITUTED PHENYLACETONITRILE DERIVATIVES G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
CN-87107723-A Agent of dihydropyridine anti-allergy and anti-inflammatory agent 1988-05-18 CN disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 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 (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-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE ADRA2B, ADRB3, ADRB1 TSHR 81/4885ALDH1A1 2060/4885SLC1A3 4065/4885
US-20030065173-A1 Pyridone-fused azabicyclic- or cytisine derivatives, their preparation and their use in addiction therapy CHRNA5, CHRNA4, CHRNA10 TSHR 2084/4885ALDH1A1 488/4885SLC1A3 1355/4885
US-20060094904-A1 Reacting methyl 3-(2-benzyloxy-5-methyl phenyl)-3-phenylpropionate with a reducing agent to form 3-(2-benzyloxy-5-methylphenyl)-3-phenylpropanol ADRB3, UGT1A3, COMT TSHR 689/4885ALDH1A1 1360/4885SLC1A3 1885/4885

“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.