SCHEMBL18171786

SCHEMBL18171786

O=C(Cl)[C@H](Cc1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ GAA P10253 1/20 0.58
▸ POLB P06746 4/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ AADAT Q8N5Z0 1/20 0.50
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL18171789 1.00 ALDH1A1 (0.58) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL18180394 0.89 ALDH1A1 (0.75) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL19962122 0.89 ALDH1A1 (0.75) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL7270563 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL28661085 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL29459410 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL7840770 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL29459253 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL21914926 0.81 ALDH1A1 (0.51) ALDH1A1GAAPOLBL3MBTL1AADAT
SCHEMBL21914462 0.80 AADAT (0.59) ALDH1A1GAAPOLBL3MBTL1AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 — — EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 — — US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 — — EP disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 — — EP disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 — — WO disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 — — WO 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H ALDH1A1 2912/4885GAA 278/4885POLB 26/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H ALDH1A1 2912/4885GAA 278/4885POLB 26/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E ALDH1A1 2545/4885GAA 316/4885POLB 21/4885

“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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