SCHEMBL80373

SCHEMBL80373

Cc1ccc(S)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
SYK P43405 1/20 0.41
AR P10275 8/20 0.39
KIF11 P52732 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL333952 0.81 ALDH1A1 (0.44) SMN1; SMN2CYP1A2CYP2A6KDM4ETP53
SCHEMBL4273522 0.80 SMN1; SMN2 (0.45) SMN1; SMN2SYKARKIF11CYP1A2
SCHEMBL12859720 0.79 SMN1; SMN2 (0.41) SMN1; SMN2SYKARKIF11CYP1A2
SCHEMBL84053 0.78 SMN1; SMN2 (0.44) SMN1; SMN2SYKARKIF11CYP1A2
SCHEMBL10030392 0.78 GLA (0.54) SMN1; SMN2SYKARKIF11CYP1A2
SCHEMBL168982 0.76 MPL (0.44) SMN1; SMN2SYKARCYP11B1CYP11B2
SCHEMBL81146 0.75 SMN1; SMN2 (0.37) SMN1; SMN2SYKARCYP1A2FFAR4
SCHEMBL169128 0.74 MAPT (0.53) SMN1; SMN2SYKARKIF11MAPT
SCHEMBL14748151 0.74 SMN1; SMN2 (0.46) SMN1; SMN2SYKARKIF11CYP1A2
SCHEMBL6371416 0.74 SMN1; SMN2 (0.43) SMN1; SMN2SYKARKIF11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4174069-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-05-03 EP disclosed
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same DEUTERX, LLC (US) 2022-12-27 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 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 (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-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same EGLN3, HPGDS, EGLN2 SMN1; SMN2 2161/4885SYK 1426/4885AR 441/4885

“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.