SCHEMBL1361986

SCHEMBL1361986

Cc1n[nH]c(-c2ccc(Cl)cc2)c1C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.44
MAOA P21397 1/20 0.41
ADRA1A P35348 1/20 0.41
ALPL P05186 2/20 0.39
CA12 O43570 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
C5 P01031 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL2501577 0.79 TYMP (0.33) TYMP
SCHEMBL8514273 0.72 P2RX7 (0.47) TYMPALPLCA12NPC1RAB9A
SCHEMBL1428395 0.72 PIN1 (0.43) KDM4EPOLBKMT2A
SCHEMBL16197762 0.70 ALPL (0.46) TYMPALPLCA12NPC1RAB9A
SCHEMBL7237905 0.69 PTGS2 (0.59) SMN1; SMN2KDM4EPTGS2MAPTMEN1
SCHEMBL9696621 0.68 POLB (0.35) POLBPDE4D
SCHEMBL8366448 0.68 MARS1 (0.39) TYMPALPLCA12MEN1KMT2A
SCHEMBL11884258 0.68 PTGS2 (0.71) MAOAADRA1APTGS2PTGS1AKR1C3
Hydrochloric Acid SCHEMBL8369724 0.67 MARS1 (0.39) TYMPALPLCA12MEN1KMT2A
SCHEMBL7238037 0.67 PTGS2 (0.55) NPC1RAB9ASMN1; SMN2KDM4EPTGS2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2300458-B1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2013-03-13 EP disclosed
US-8298994-B2 Substituted 1-(diazinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-8067611-B2 Substituted 1-(thiazolyl)-and 1-(isothiazolyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-10-20 US disclosed
EP-2373648-A1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2011-10-12 EP disclosed
WO-2011073098-A1 1-(HETEROARYL)-PYRAZOL-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-06-23 WO disclosed
EP-2300458-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience Aktiengesellschaft (DE) 2011-03-30 EP disclosed
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-08-05 US disclosed
US-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 US disclosed
WO-2010063422-A1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-06-10 WO disclosed
EP-2194052-A1 Substituted 1.(1-thiazolyl)- and 1-(isothiazolyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2010-06-09 EP disclosed
EP-2135865-A1 Substituted 1-(diazinyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2009-12-23 EP disclosed
WO-2009152995-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-12-23 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 (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-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, DDC, HPD TYMP 3776/4885MAOA 2617/4885ADRA1A 677/4885
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS THRA, TSHR, DDT TYMP 2777/4885MAOA 2299/4885ADRA1A 641/4885
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators DDT, HPD, DDC TYMP 3216/4885MAOA 1779/4885ADRA1A 1364/4885

“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.