Sugi Predict

Sugi Predict / Compounds / SCHEMBL15035936

SCHEMBL15035936

SCHEMBL15035936

CC(C)c1c(Cl)cccc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.41
▸ CCR2 P41597 2/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ MYLK Q15746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL27291942 0.85 TRPV4 (0.41) HSD11B1MCOLN3P2RX7TSHRCYP3A4
Hydrochloric Acid SCHEMBL27291943 0.81 CYP1A2 (0.38) HSD11B1MCOLN3TSHRCYP3A4CYP1A2
SCHEMBL8048861 0.80 HSD11B1 (0.38) HSD11B1CCR2MCOLN3P2RX7TSHR
SCHEMBL27370330 0.79 MCOLN3 (0.33) HSD11B1MCOLN3TSHRCYP3A4CYP1A2
SCHEMBL24603708 0.77 CNR2 (0.37) HSD11B1CCR2
SCHEMBL279564 0.76 CYP1A2 (0.44) TSHRCYP3A4CYP1A2CYP2D6MEN1
SCHEMBL23665005 0.76 GABRA1 (0.38) HSD11B1P2RX7CYP3A4CYP1A2CYP2C19
SCHEMBL2633428 0.75 MCOLN3 (0.53) HSD11B1CCR2MCOLN3P2RX7TSHR
SCHEMBL30720453 0.74 HSD11B1 (0.51) HSD11B1CCR2MCOLN3TSHRHSD17B10
SCHEMBL395266 0.74 HSD11B1 (0.51) HSD11B1CCR2MCOLN3TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022135591-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDONE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-06-30 — — WO disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 — — US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 — — US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 — — 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 (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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 HSD11B1 4309/4885CCR2 1051/4885MCOLN3 4763/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 HSD11B1 4397/4885CCR2 2657/4885MCOLN3 4376/4885

“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.