Sugi Predict

Sugi Predict / Compounds / SCHEMBL8339238

SCHEMBL8339238

SCHEMBL8339238

CNc1ccc(CS(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CA12 O43570 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CA9 Q16790 1/20 0.39
▸ APP P05067 2/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL9528190 0.81 CA1 (0.47) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL24140260 0.81 HPGD (0.47) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL19205837 0.81 HPGD (0.55) HPGDALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9526198 0.79 CA1 (0.45) HPGDALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5893987 0.79 CA2 (0.53) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL26640583 0.78 LMNA (0.49) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18474245 0.78 TDP1 (0.43) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17492543 0.76 P2RX3 (0.52) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17492602 0.76 KMT2A (0.49) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3295049 0.76 NEK2 (0.43) APPHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 — — US disclosed
WO-2022095989-A1 P300 INHIBITORS AND USE THEREOF IN MEDICINE 贝达药业股份有限公司 2022-05-12 — — WO disclosed
WO-2017175068-A1 THIAZOLOPYRIDINE DERIVATIVES AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 — — WO disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 — — US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 — — 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-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 HPGD 3060/4885ALDH1A1 2980/4885LMNA 1417/4885
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF ENPP1, ENPP3, PPA1 HPGD 2084/4885ALDH1A1 3021/4885LMNA 4507/4885

“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.