SCHEMBL17177887

SCHEMBL17177887

CCCCOC(=O)C1(CF)CC=C(B2OC(C)(C)C(C)(C)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ PSEN1 P49768 3/20 0.30

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
SCHEMBL17178006 1.00 P2RX7 (0.35) P2RX7MAPK1PSEN1
SCHEMBL17178005 1.00 P2RX7 (0.35) P2RX7MAPK1PSEN1
SCHEMBL29989231 0.89 P2RX7 (0.38) P2RX7MAPK1
SCHEMBL17162692 0.89 P2RX7 (0.38) P2RX7MAPK1
SCHEMBL22668 0.83 P2RX7 (0.33) P2RX7MAPK1
SCHEMBL17162572 0.81 DDB1 (0.38) MAPK1
SCHEMBL17174481 0.81 DDB1 (0.38) MAPK1
SCHEMBL17174477 0.81 DDB1 (0.38) MAPK1
SCHEMBL22688357 0.80 P2RX7 (0.35) P2RX7MAPK1
SCHEMBL17174472 0.80 P2RX7 (0.42) P2RX7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340650-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2017-11-30 — — US disclosed
US-20170334946-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 — — US disclosed
US-9527882-B2 Triterpenoids with HIV maturation inhibitory activity ViiV Healthcare UK (No.4) Limited (GB) 2016-12-27 — — US disclosed
WO-2016077561-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
US-20150291655-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-10-15 — — US disclosed
WO-2015157483-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-15 — — 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-20170334946-A1 OXOLUPENE DERIVATIVES BET1, CYP51A1, PGGT1B P2RX7 4134/4885MAPK1 3859/4885PSEN1 1261/4885
US-20150291655-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS P2RX7 3047/4885MAPK1 2233/4885PSEN1 3736/4885
US-20170340650-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS P2RX7 3047/4885MAPK1 2233/4885PSEN1 3736/4885

“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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