SCHEMBL18920495

SCHEMBL18920495

CN(C)[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
GPR139 Q6DWJ6 1/20 0.45
ACHE P22303 3/20 0.43
FFAR1 O14842 2/20 0.42
PTGS1 P23219 1/20 0.42
GLS O94925 2/20 0.42
OPRM1 P35372 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
CTSA P10619 1/20 0.41
BCHE P06276 2/20 0.40
MARK4 Q96L34 1/20 0.40

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
SCHEMBL18920493 1.00 TRPM8 (0.47) TRPM8GPR139ACHEFFAR1PTGS1
SCHEMBL18920508 1.00 TRPM8 (0.47) TRPM8GPR139ACHEFFAR1PTGS1
SCHEMBL18920458 0.85 ACHE (0.44) ACHEPTGS1GLSBCHEMARK4
SCHEMBL29173105 0.82 TDP1 (0.53) TRPM8ACHEPTGS1
SCHEMBL29173106 0.82 TDP1 (0.53) TRPM8ACHEPTGS1
SCHEMBL29537690 0.81 PTGS1 (0.65) GPR139FFAR1PTGS1
SCHEMBL1759907 0.81 PTGS1 (0.65) GPR139FFAR1PTGS1
SCHEMBL1991313 0.81 PTGS1 (0.65) GPR139FFAR1PTGS1
SCHEMBL761250 0.80 TRPM8 (0.46) TRPM8GPR139FFAR1PTGS1CTSA
SCHEMBL1275951 0.80 CTSA (0.47) TRPM8GPR139FFAR1PTGS1CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349965-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-10-26 CN disclosed
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-10-10 EP disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
CN-108349965-A 1,3,4- thiadiazole compounds and its purposes in treating cancer 阿斯利康(瑞典)有限公司 2018-07-31 CN disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
WO-2017093301-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 WO disclosed
WO-2017093301-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 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 (2 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-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLRX3 TRPM8 4432/4885GPR139 3364/4885ACHE 3475/4885
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLRX3 TRPM8 4432/4885GPR139 3364/4885ACHE 3475/4885

“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.