SCHEMBL7567730

SCHEMBL7567730

CCOC(OCC)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.37
CTSA P10619 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
FBP1 P09467 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A3 Q01959 1/20 0.34
ALOX5 P09917 2/20 0.34
FDPS P14324 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 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
SCHEMBL13711978 0.81 PKM (0.38) ALDH1A1PKMCTSASLC6A2SLC6A4
Butane SCHEMBL7565121 0.80 CTSA (0.34) ALDH1A1PKMCTSASLC6A2SLC6A4
SCHEMBL7565127 0.79 TSHR (0.37) ALDH1A1PKMCTSALMNAKDM4E
SCHEMBL8613951 0.73 CTSA (0.36) ALDH1A1PKMCTSASLC6A2SLC6A4
SCHEMBL1975745 0.72 FBP1 (0.39) ALDH1A1CTSASLC6A2SLC6A4FBP1
SCHEMBL21010058 0.72 FBP1 (0.36) ALDH1A1CTSASLC6A2SLC6A4FBP1
SCHEMBL12041576 0.72 FBP1 (0.36) ALDH1A1CTSASLC6A2SLC6A4FBP1
SCHEMBL8429804 0.72 ALDH1A1 (0.51) ALDH1A1PKMCTSALMNANPC1
SCHEMBL4312352 0.71
SCHEMBL9990775 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108285444-A A kind of preparation method of thiazole 湖南华腾制药有限公司 2018-07-17 CN disclosed
CN-107778304-A A kind of preparation method of thiazole 湖南华腾制药有限公司 2018-03-09 CN disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 US disclosed
US-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-16 US disclosed
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 US disclosed
US-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 US disclosed
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP disclosed
EP-1025088-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-08-09 EP disclosed
WO-1999020611-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1999-04-29 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 (3 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-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA ALDH1A1 1072/4885PKM 3521/4885CTSA 3757/4885
US-20100021385-A1 BENZOXAZOLE DERIVATIVES CBX7, KIT, BMX ALDH1A1 1195/4885PKM 485/4885CTSA 1900/4885
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA ALDH1A1 1016/4885PKM 3207/4885CTSA 3756/4885

“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.