Sugi Predict

Sugi Predict / Compounds / SCHEMBL2513091

SCHEMBL2513091

SCHEMBL2513091

CC(C)(C)OC(=O)c1ccc(Cn2nc(-c3ccc(Cl)cc3)n(C3CC3)c2=O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 4/20 0.43
▸ AVPR1A P37288 4/20 0.43
▸ SLC16A3 O15427 4/20 0.41
▸ SLC16A1 P53985 4/20 0.41
▸ MCTS1 Q9ULC4 4/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ CCR4 P51679 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2514889 0.86 AVPR2 (0.43) AVPR2AVPR1ASLC16A3SLC16A1MCTS1
SCHEMBL2510281 0.86 AVPR2 (0.47) AVPR2AVPR1ASLC16A3SLC16A1MCTS1
SCHEMBL2504102 0.81 AVPR2 (0.41) AVPR2AVPR1ACNR1CNR2SMN1; SMN2
SCHEMBL2500560 0.78 AVPR2 (0.41) AVPR2AVPR1ASMN1; SMN2
SCHEMBL2511673 0.78 AVPR2 (0.44) AVPR2AVPR1ASMN1; SMN2
Bicarbonate SCHEMBL16530565 0.73 KDM4E (0.47) AVPR2AVPR1AALDH1A1TP53SMN1; SMN2
SCHEMBL8739481 0.72 AVPR2 (0.44) AVPR2AVPR1AALDH1A1LMNACNR1
SCHEMBL417179 0.71 AVPR2 (0.46) AVPR2AVPR1AALDH1A1LMNACNR1
SCHEMBL2513250 0.71 AVPR2 (0.50) AVPR2AVPR1ALMNATP53
SCHEMBL8228870 0.71 TSHR (0.58) AVPR2AVPR1ANPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 — — EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 — — US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 — — US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 — — US disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 — — US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 — — 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 (1 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-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE AVPR2 4117/4885AVPR1A 4399/4885SLC16A3 3559/4885

“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.