SCHEMBL16346233

SCHEMBL16346233

CC(=O)c1cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.50
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.37
GRM5 P41594 1/20 0.37
ALK Q9UM73 3/20 0.37
HTT P42858 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
SCHEMBL16346794 0.82 GSK3B (0.56) ACACBGRM5ALK
SCHEMBL9477603 0.82 ACACB (0.47) ACACBALDH1A1NPC1TP53GAA
SCHEMBL8615592 0.81 ACACB (0.57) ACACBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL26988072 0.80 LMNA (0.40) ALDH1A1TP53RAB9ASMN1; SMN2MEN1
SCHEMBL28680590 0.80 ACACB (0.48) ACACBALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL10411220 0.78 ACACB (0.51) ACACBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20102200 0.77 GRM5 (0.45) ALDH1A1GRM5ALK
SCHEMBL12724811 0.76 ACACB (0.50) ACACBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12182347 0.76 ACACB (0.57) ACACBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19133384 0.75 ACACB (0.50) ACACBALDH1A1NPC1TP53GAA

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 ACACB 485/4885ALDH1A1 367/4885NPC1 2964/4885

“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.