SCHEMBL24450663

SCHEMBL24450663

CC(C)C(=O)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CES2 O00748 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ DBH P09172 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TMPRSS4 Q9NRS4 7/20 0.43
▸ P2RX1 P51575 8/20 0.42
▸ P2RX4 Q99571 2/20 0.42
▸ P2RX7 Q99572 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CFTR P13569 1/20 0.41
▸ PDE2A O00408 2/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL24451072 0.86 CES2 (0.47) MEN1KMT2ACES2KDM4EDBH
SCHEMBL11347585 0.84 HSP90AA1 (0.55) MEN1KMT2AKDM4EDBHGAA
SCHEMBL12780275 0.83 PDE2A (0.47) MEN1KMT2ACES2KDM4EGAA
SCHEMBL29033140 0.81 KDM4E (0.60) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30450981 0.81 KDM4E (0.56) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26732909 0.81 KDM4E (0.56) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL320481 0.80 CES2 (0.52) MEN1KMT2ACES2KDM4ETMPRSS4
SCHEMBL30062195 0.80 CES2 (0.52) MEN1KMT2ACES2KDM4ETMPRSS4
SCHEMBL1033788 0.79 GAA (0.54) CES2KDM4EGAAALDH1A1HPGD
SCHEMBL13688467 0.79 CES2 (0.66) CES2KDM4EGAAALDH1A1HPGD

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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 — — 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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 MEN1 3736/4885KMT2A 4242/4885CES2 2295/4885

“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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