SCHEMBL17670508

SCHEMBL17670508

CC(C)C[C@@H](CO)NCc1cc(C(=O)O)cc(CO)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.43
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.34
▸ F3 P13726 3/20 0.33
▸ CD274 Q9NZQ7 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TPMT P51580 1/20 0.31

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
SCHEMBL17670370 0.88 TRPV3 (0.42) TRPV3TAS1R3TAS1R1HDAC4HDAC6
SCHEMBL17144520 0.81 TRPV3 (0.50) TRPV3
SCHEMBL17144518 0.81 TRPV3 (0.50) TRPV3
SCHEMBL1424871 0.75 TPMT (0.39) TPMT
SCHEMBL16369830 0.74 TSHR (0.50) TPMT
Hydrochloric Acid SCHEMBL2383908 0.74 TPMT (0.38) TPMT
SCHEMBL1424911 0.68 ALOX15 (0.43) TPMT
SCHEMBL25870953 0.68 TRPV3 (0.40) TRPV3TAS1R3TAS1R1CNR1CD274
Hydrochloric Acid SCHEMBL1425071 0.67 ALOX15 (0.42) TPMT
SCHEMBL1425060 0.67 TPMT (0.48) PIK3CATPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 TRPV3 4397/4885TAS1R3 4365/4885TAS1R1 4491/4885

“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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