SCHEMBL12900511

SCHEMBL12900511

CC1CCS(=O)(=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.38
SLC10A2 Q12908 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
BRCA1 P38398 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BDKRB1 P46663 1/20 0.32
NOTUM Q6P988 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
SCHEMBL24090474 1.00 ADRA1D (0.38) ADRA1DSLC10A2SLC6A2SLC6A4NOS3
SCHEMBL12651546 1.00 ADRA1D (0.38) ADRA1DSLC10A2SLC6A2SLC6A4NOS3
SCHEMBL19117718 0.80 SLC6A2 (0.40) SLC10A2SLC6A2SLC6A4NOS3NOS1
SCHEMBL21266523 0.80 SLC6A2 (0.40) SLC10A2SLC6A2SLC6A4NOS3NOS1
SCHEMBL12180971 0.80 SLC6A2 (0.40) SLC10A2SLC6A2SLC6A4NOS3NOS1
SCHEMBL12609032 0.78 ADRA1D (0.36) ADRA1DSLC10A2SLC6A2SLC6A4BRCA1
SCHEMBL13059132 0.78 ADRA1D (0.36) ADRA1DSLC10A2SLC6A2SLC6A4BRCA1
SCHEMBL12609028 0.78 ADRA1D (0.36) ADRA1DSLC10A2SLC6A2SLC6A4BRCA1
SCHEMBL13499160 0.77 CA2 (0.41) ADRA1DSLC10A2SLC6A2SLC6A4CA2
SCHEMBL2906600 0.77 CA2 (0.41) ADRA1DSLC10A2SLC6A2SLC6A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
EP-2185526-B1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-10-05 EP disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8334390-B2 Fungicide N-cycloalkyl-N-bicyclic-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-12-18 US disclosed
US-8334390-B2 Fungicide N-cycloalkyl-N-bicyclic-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-12-18 US disclosed
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
US-20100197925-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES Bater SAS (FR) 2010-08-05 US disclosed
US-20100197925-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES Bater SAS (FR) 2010-08-05 US disclosed
WO-2009016218-A2 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-02-05 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 (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-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF ADRA1D, ADRB1, ADRB2 ADRA1D 1/4885SLC10A2 319/4885SLC6A2 49/4885
US-20100197925-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES CBR3, CBR1, CYP3A7 ADRA1D 1830/4885SLC10A2 4839/4885SLC6A2 4588/4885

“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.