SCHEMBL19232108

SCHEMBL19232108

CCCCCCC(C)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
MC4R P32245 1/20 0.41
RAD52 P43351 1/20 0.41
GRM2 Q14416 1/20 0.39
SLC2A1 P11166 1/20 0.39
NR1I2 O75469 1/20 0.38
HTR7 P34969 1/20 0.38
GCGR P47871 3/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL21536775 1.00 PSMD14 (0.41) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL8217828 0.98 HTR7 (0.39) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL22649183 0.98 HTR7 (0.39) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL9232425 0.92 HTR7 (0.40) HTR7ALDH1A1HPGD
SCHEMBL9278852 0.92 HTR7 (0.40) HTR7ALDH1A1HPGD
SCHEMBL9137197 0.90 SLC2A1 (0.44) SLC2A1NR1I2
SCHEMBL6684351 0.90 SLC2A1 (0.44) SLC2A1NR1I2
SCHEMBL6678858 0.88 OPRM1 (0.44) SLC2A1NR1I2
SCHEMBL20178582 0.85 SLC2A1 (0.39) SLC2A1NR1I2ALDH1A1
SCHEMBL9137103 0.84 EPHX1 (0.45) SLC2A1NR1I2HPGD

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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 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 (3 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT PSMD14 3447/4885HSP90AA1 3125/4885MMP2 742/4885
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 PSMD14 2707/4885HSP90AA1 308/4885MMP2 2314/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT PSMD14 3447/4885HSP90AA1 3125/4885MMP2 742/4885

“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.