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Sugi Predict / Compounds / SCHEMBL19962121

SCHEMBL19962121

SCHEMBL19962121

CCCc1ccc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CIT O14578 1/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ PER2 O15055 1/20 0.35
▸ CRY1 Q16526 1/20 0.35
▸ CRY2 Q49AN0 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL18180281 0.90 CIT (0.39) CITPER2CRY1CRY2ALDH1A1
SCHEMBL19999801 0.86 CIT (0.41) CITCRY1CRY2ALDH1A1MAPT
SCHEMBL21992128 0.86 MAOB (0.37) ESR1ESR2PER2CRY1CRY2
SCHEMBL18317595 0.85 CIT (0.39) CITALDH1A1MAPTKMT2ALMNA
SCHEMBL18180401 0.85 CIT (0.39) CITALDH1A1MAPTKMT2ALMNA
SCHEMBL19999807 0.84 CIT (0.39) CITMAOB
SCHEMBL18180177 0.82 BMP1 (0.41) CITALDH1A1MAOBSMN1; SMN2
SCHEMBL19962118 0.82 NR1H4 (0.41) CITALDH1A1KMT2ARAB9ALMNA
SCHEMBL18317286 0.82 BMP1 (0.41) CITALDH1A1MAOBSMN1; SMN2
SCHEMBL18179956 0.82 CIT (0.37) CITALDH1A1MAPTKMT2ALMNA

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 5 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
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CIT 1337/4885ESR1 4621/4885ESR2 4666/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CIT 1337/4885ESR1 4621/4885ESR2 4666/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E CIT 1229/4885ESR1 4616/4885ESR2 4606/4885

“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.