Sugi Predict

Sugi Predict / Compounds / SCHEMBL279332

SCHEMBL279332

SCHEMBL279332

Cc1nc([C@H](C)c2ccc(CC(C)C)cc2)sc1CCON(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ XIAP P98170 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PTGS1 P23219 4/20 0.33
▸ PTGS2 P35354 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ CXCR1 P25024 2/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL280443 0.86 KMT2A (0.37) —
SCHEMBL259143 0.80 PTGS2 (0.42) ALOX5ENPP3ALPLXIAPFAAH
SCHEMBL263963 0.80 PTGS2 (0.42) ALOX5ENPP3ALPLXIAPFAAH
SCHEMBL279413 0.79 ABCB11 (0.41) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL279782 0.78 LMNA (0.50) FAAHLMNACXCR1CXCR2
SCHEMBL280144 0.77 CYP1A2 (0.31) —
SCHEMBL280316 0.76 HRH2 (0.39) ALOX5LMNATSHR
SCHEMBL280317 0.75 AKR1C3 (0.41) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL280072 0.75 FBP1 (0.31) —
SCHEMBL279681 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 — — US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 — — US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 — — US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 — — US disclosed
US-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 — — US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 — — US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 — — 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 (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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR ALOX5 32/4885ENPP3 3063/4885ALPL 2765/4885

“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.