SCHEMBL16346002

SCHEMBL16346002

COC(=O)c1ccc(CC(=O)OC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
LOXL2 Q9Y4K0 1/20 0.54
CYP4A11 Q02928 4/20 0.53
CYP4F2 P78329 3/20 0.53
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPT P10636 2/20 0.47
KLK7 P49862 1/20 0.47

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
SCHEMBL4901678 0.86 TSHR (0.81) TSHRCYP4A11CYP4F2TDP1MEN1
SCHEMBL4312014 0.85 LOXL2 (0.53) TSHRLOXL2CYP4A11CYP4F2TDP1
SCHEMBL1198228 0.84 LOXL2 (0.63) TSHRLOXL2CYP4A11CYP4F2TDP1
SCHEMBL19134100 0.83 TSHR (0.57) TSHRCYP4A11CYP4F2TDP1MEN1
SCHEMBL14010060 0.82 TSHR (0.70) TSHRCYP4A11CYP4F2TDP1MEN1
SCHEMBL13800480 0.80 CA1 (0.70) TSHRLOXL2CYP4A11CYP4F2TDP1
SCHEMBL5646360 0.79 LOXL2 (0.58) TSHRLOXL2CYP4A11CYP4F2TDP1
SCHEMBL317876 0.79 TSHR (0.66) TSHRTDP1KMT2AKLK7
SCHEMBL5175026 0.79 TSHR (0.76) TSHRMEN1KMT2ACA2KLK7
SCHEMBL9626909 0.79 TSHR (0.70) TSHRTDP1MEN1KMT2ACA1

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-9708279-B2 2-acylaminothiazoles for the treatment of cancer UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA (IT) 2017-07-18 US disclosed
US-9708279-B2 2-acylaminothiazoles for the treatment of cancer UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA (IT) 2017-07-18 US disclosed
US-9708279-B2 2-acylaminothiazoles for the treatment of cancer UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA (IT) 2017-07-18 US disclosed
EP-3016948-B1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITÀ DEGLI STUDI DI MILANO - BICOCCA (IT) 2017-05-10 EP disclosed
EP-3016948-B1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITÀ DEGLI STUDI DI MILANO - BICOCCA (IT) 2017-05-10 EP disclosed
US-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITE' CLAUDE BERNARD LYON 1 (FR) 2016-09-08 US disclosed
US-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITE' CLAUDE BERNARD LYON 1 (FR) 2016-09-08 US disclosed
US-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITE' CLAUDE BERNARD LYON 1 (FR) 2016-09-08 US disclosed
EP-3016948-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER Università Degli Studi Di Milano - Bicocca (IT) 2016-05-11 EP disclosed
WO-2015001024-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2015-01-08 WO disclosed
WO-2015001024-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2015-01-08 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-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER ALK, ERBB2, ABL1 TSHR 3358/4885LOXL2 1101/4885CYP4A11 3744/4885

“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.