SCHEMBL1972179

SCHEMBL1972179

NC(=S)c1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
TP53 P04637 1/20 0.63
SRD5A2 P31213 2/20 0.55
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
CA3 P07451 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALOX15 P16050 1/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 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
Terephthalic Acid SCHEMBL27473772 0.83 TSHR (0.80) TSHRTP53SRD5A2CA1CA2
SCHEMBL2206586 0.83 HTT (0.62) TSHRSMN1; SMN2HTT
SCHEMBL2304015 0.81 PARP1 (0.55) TSHRCA1CA2SMN1; SMN2ALDH1A1
Terephthalic Acid SCHEMBL27575972 0.80 TSHR (0.75) TSHRTP53SRD5A2CA1CA2
Paraben SCHEMBL9755598 0.80 CA2 (0.76) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL11858116 0.80 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL27400233 0.80 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL2511919 0.80 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL175823 0.80 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL5053781 0.80 TSHR (1.00) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2011-06-16 US claimed
US-7666907-B2 Salts of trimebutine and N-desmethyl trimebutine ANTIBE THERAPEUTICS INC. (CA) 2010-02-23 US claimed
CN-101489986-A Salts of trimebutine and N-desmethyl trimebutine ANTIBE THERAPEUTICS INC (CA) 2009-07-22 CN claimed
EP-2024323-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE Antibe Therapeutics Inc. (US) 2009-02-18 EP claimed
WO-2007140611-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-12-13 WO claimed
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-11-29 US claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-0128097-B1 IMMUNOSTIUMULATING DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1988-01-13 EP claimed
US-9242009-B2 Compositions and methods to treat neurodegenerative diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-01-26 US disclosed
US-20150209438-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION 2015-07-30 US disclosed
US-20150057316-A1 NOVEL SULFONATE-BASED TRIMEBUTINE SALTS GICARE PHARMA INC. (CA) 2015-02-26 US disclosed
EP-2825523-A1 NOVEL SULFONATE-BASED TRIMEBUTINE SALTS Gicare Pharma Inc. (CA) 2015-01-21 EP disclosed
WO-2014015047-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2014-01-23 WO disclosed
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-11-29 US disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 EP disclosed
US-4801578-A Muramylpeptide-glycoprotein immunostimulant derivatives, their preparation and their use in medication Establishment Public dit Centre National de la Recherche Scientifique (CNRS) (FR) 1989-01-31 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 (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-20150057316-A1 NOVEL SULFONATE-BASED TRIMEBUTINE SALTS TBK1, SI, TRIM59 TSHR 4475/4885TP53 4481/4885SRD5A2 3899/4885
US-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE SI, VIP, TRIM59 TSHR 4727/4885TP53 4144/4885SRD5A2 3777/4885
US-20150209438-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES PSEN2, SNCA, PSEN1 TSHR 4818/4885TP53 2918/4885SRD5A2 3950/4885
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE SI, VIP, TRIM59 TSHR 4727/4885TP53 4144/4885SRD5A2 3777/4885

“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.