SCHEMBL18160139

SCHEMBL18160139

C[C@H](C(=O)O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 15/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL2029589 0.81 KIF11 (0.51) KIF11DNMT1
SCHEMBL2032145 0.81 KIF11 (0.51) KIF11DNMT1
SCHEMBL20271003 0.76 KIF11 (0.46) KIF11MAPTKMT2ADNMT1
SCHEMBL20271001 0.76 KIF11 (0.46) KIF11MAPTKMT2ADNMT1
SCHEMBL431461 0.76 KIF11 (0.46) KIF11MAPTKMT2ADNMT1
SCHEMBL4365780 0.75 CYP1A2 (0.47) KIF11CYP1A2CYP2D6MAPTKMT2A
SCHEMBL430340 0.75 CYP1A2 (0.47) KIF11CYP1A2CYP2D6MAPTKMT2A
SCHEMBL28485167 0.73 MAPT (0.45) KIF11CYP1A2CYP2D6MAPTKMT2A
SCHEMBL17582896 0.73 CYP2D6 (0.46) KIF11CYP1A2CYP2D6MAPTKMT2A
SCHEMBL20184852 0.73 CYP2D6 (0.46) KIF11CYP1A2CYP2D6MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303251-A1 CONJUGATES OF GARFTASE INHIBITORS ENDOCYTE, INC. 2016-10-20 — — 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-20160303251-A1 CONJUGATES OF GARFTASE INHIBITORS DHFR, FOLR1, MTHFD1 KIF11 2722/4885CYP1A2 2386/4885CYP2D6 1293/4885

“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.

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