SCHEMBL17398205

SCHEMBL17398205

COC(=O)c1cc(C)sc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CNR2 P34972 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 4/20 0.43
REV1 Q9UBZ9 1/20 0.42
MAPT P10636 3/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL21054378 0.82 CA12 (0.40) NPSR1KDM4ELMNAMAPTCA12
SCHEMBL16445841 0.81 GAA (0.49) SMN1; SMN2NPSR1KDM4ELMNAMAPT
SCHEMBL13748344 0.80 SMN1; SMN2 (0.49) SMN1; SMN2CNR2RXFP1NPSR1KDM4E
SCHEMBL2825614 0.78 ALDH1A1 (0.53) SMN1; SMN2RXFP1NPSR1KDM4ELMNA
SCHEMBL25467797 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CNR2RXFP1NPSR1KDM4E
SCHEMBL2181959 0.77 ALDH1A1 (0.57) SMN1; SMN2CNR2RXFP1NPSR1KDM4E
SCHEMBL17678398 0.77 CA12 (0.36) NPSR1KDM4ELMNAMAPTCA12
SCHEMBL5730997 0.77 ALDH1A1 (0.56) SMN1; SMN2RXFP1NPSR1KDM4ELMNA
SCHEMBL19436829 0.76 ALDH1A1 (0.40) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL7658353 0.76 ALDH1A1 (0.39) SMN1; SMN2CNR2RXFP1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240325409-A1 Fused Heterotetracyclic Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2024-10-03 US disclosed
WO-2024182271-A1 FUSED HETEROTETRACYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-09-06 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
US-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
US-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
EP-3164399-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 EP disclosed
WO-2016001876-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 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-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B2, GUCY1A2, GUCY1A1 SMN1; SMN2 1463/4885CNR2 206/4885RXFP1 458/4885
US-20240325409-A1 Fused Heterotetracyclic Antiviral Agents HAVCR2, HDGF, SLC10A1 SMN1; SMN2 4813/4885CNR2 1510/4885RXFP1 4535/4885

“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.