Sugi Predict

Sugi Predict / Compounds / SCHEMBL168027

SCHEMBL168027

SCHEMBL168027

CCOC(=O)c1c(C)sc(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 1/20 0.61
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 12/20 0.57
▸ HPGD P15428 8/20 0.57
▸ MAPT P10636 6/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CCR6 P51684 1/20 0.57
▸ GAA P10253 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ TP53 P04637 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL14708470 0.89 FHIT (0.74) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL14948701 0.84 MAPT (0.69) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL1622309 0.82 FHIT (0.77) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL168023 0.82 FHIT (0.56) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL22046958 0.82 MAPK1 (0.55) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL8104317 0.82 MAPK1 (0.55) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL168011 0.82 FHIT (0.56) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL18430421 0.81 ALDH1A1 (0.71) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL13831620 0.80 MAPK1 (0.53) FHITMAPK1ALDH1A1HPGDMAPT
SCHEMBL12111275 0.78 ALDH1A1 (0.49) ALDH1A1HPGDMAPTSMN1; SMN2NPSR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212095-A1 MOLECULES THAT ENHANCE EXTRACELLULAR VESICLE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-02 — — WO disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 — — EP disclosed
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 — — US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 — — US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 — — US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 — — US disclosed
US-9752104-B2 Thiophene AZO carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2017-09-05 — — US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 — — US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — US disclosed
WO-2017029498-A1 2-SULFONYLPYRIMIDINES MEDICAL RESEARCH COUNCIL (GB) 2017-02-23 — — WO disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 — — EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 — — US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — 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 (5 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 FHIT 3515/4885MAPK1 19/4885ALDH1A1 1382/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 FHIT 2156/4885MAPK1 63/4885ALDH1A1 748/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 FHIT 4798/4885MAPK1 53/4885ALDH1A1 2329/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 FHIT 4862/4885MAPK1 49/4885ALDH1A1 1023/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 FHIT 723/4885MAPK1 1761/4885ALDH1A1 3533/4885

“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.