Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972903

SCHEMBL9972903

SCHEMBL9972903

CC(C)(C)COC(=O)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MIF P14174 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL12196314 0.90 MIF (0.40) L3MBTL1ALDH1A1KMT2AMEN1TDP1
SCHEMBL28016696 0.84 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNAKMT2AMEN1
SCHEMBL9972938 0.82 GABRA5 (0.38) L3MBTL1ALDH1A1EPHX1MIF
SCHEMBL13073370 0.81 MEN1 (0.52) L3MBTL1ALDH1A1LMNAKMT2AMEN1
SCHEMBL25311355 0.79 TDP1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMEN1
SCHEMBL18797 0.79 TDP1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2779505 0.79 TDP1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMEN1
SCHEMBL9134377 0.79 TDP1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMEN1
Cyclohexane SCHEMBL28249403 0.79 TDP1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMEN1
SCHEMBL26914635 0.79 TDP1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 — — US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 — — US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 — — US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 — — US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 — — US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 — — US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 — — US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 — — US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 — — US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 — — US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 — — 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M L3MBTL1 488/4885ALDH1A1 2455/4885LMNA 3775/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M L3MBTL1 304/4885ALDH1A1 2468/4885LMNA 4295/4885
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 L3MBTL1 3487/4885ALDH1A1 914/4885LMNA 2576/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 L3MBTL1 3253/4885ALDH1A1 694/4885LMNA 2966/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 L3MBTL1 3253/4885ALDH1A1 694/4885LMNA 2966/4885

“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.