SCHEMBL19999799

SCHEMBL19999799

Cc1cc(F)cc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ PYGL P06737 1/20 0.40
▸ BCHE P06276 4/20 0.39
▸ ACHE P22303 4/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ MMP14 P50281 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ TACR1 P25103 1/20 0.35

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
SCHEMBL18181355 0.87 KDM1A (0.42) KDM1AMAOAPYGLBCHEACHE
SCHEMBL18181100 0.87 KDM1A (0.42) KDM1AMAOAPYGLBCHEACHE
SCHEMBL19999815 0.86 KDM1A (0.44) KDM1AMAOAPYGLBCHEACHE
SCHEMBL18181046 0.85 KDM1A (0.41) KDM1AMAOAPYGLBCHEACHE
SCHEMBL19999800 0.85 KDM1A (0.41) KDM1AMAOAPYGLBCHEACHE
SCHEMBL18181364 0.85 KDM1A (0.46) KDM1AMAOAPYGLBCHEACHE
SCHEMBL18181047 0.84 KDM1A (0.43) KDM1AMAOAPYGLBCHEACHE
SCHEMBL21993369 0.84 KDM1A (0.43) KDM1AMAOAPYGLBCHEACHE
SCHEMBL19999794 0.84 KDM1A (0.43) KDM1AMAOAPYGLBCHEACHE
SCHEMBL18181374 0.83 ACHE (0.41) KDM1AMAOABCHEACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — 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 (2 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 KDM1A 2550/4885MAOA 2941/4885PYGL 982/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KDM1A 2550/4885MAOA 2941/4885PYGL 982/4885

“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.

Send feedback