SCHEMBL8842448

SCHEMBL8842448

CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
TOP2A P11388 7/20 0.38
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
DUT P33316 1/20 0.33
FKBP1A P62942 1/20 0.31

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
SCHEMBL8842452 1.00 CYP1A2 (0.42) CYP1A2TOP2ACA1CA9DUT
SCHEMBL8711625 1.00 CYP1A2 (0.42) CYP1A2TOP2ACA1CA9DUT
SCHEMBL20211424 0.81 TOP2A (0.45) TOP2ADUTFKBP1A
SCHEMBL8842221 0.80 TOP2A (0.30) TOP2A
SCHEMBL8842224 0.80 TOP2A (0.30) TOP2A
SCHEMBL18355374 0.77 ALDH1A1 (0.48) CYP1A2CA1CA9
SCHEMBL1739798 0.77 SMYD2 (0.41) CYP1A2TOP2ACA1CA9
SCHEMBL9128317 0.77 SMYD2 (0.41) CYP1A2TOP2ACA1CA9
SCHEMBL1740050 0.77 SMYD2 (0.41) CYP1A2TOP2ACA1CA9
SCHEMBL4772873 0.76 LMNA (0.35) TOP2ADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212175-B1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES INC (US) 2021-11-24 EP disclosed
EP-3695844-A1 METHODS FOR TREATING NIPAH VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
US-20150241410-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150241410-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150239831-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150239831-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 US disclosed
US-5602118-A A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA AMERICAN CYANAMID COMPANY (US) 1997-02-11 US disclosed
US-5455351-A Treating HIV or AIDS ABBOTT LABORATORIES (US) 1995-10-03 US disclosed
EP-0466131-B1 Pyranobenzoxadiazole derivatives NISSAN CHEMICAL IND LTD (JP) 1995-09-27 EP disclosed
EP-0617036-A2 Novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1994-09-28 EP disclosed
US-5272271-A Pyranobenzoxadiazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-21 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 (1 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-20150239831-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 VIPR2, VIPR1, NTSR2 CYP1A2 2954/4885TOP2A 4679/4885CA1 1357/4885

“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.