SCHEMBL194384

SCHEMBL194384

COC(=O)N[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.50
OPRK1 P41145 1/20 0.49
FPR2 P25090 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 2/20 0.46
CTSS P25774 2/20 0.46
LTA4H P09960 1/20 0.46
ANPEP P15144 1/20 0.46
CTSK P43235 1/20 0.46
HDAC4 P56524 1/20 0.45

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
SCHEMBL193009 1.00 ATM (0.60) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL203326 1.00 ATM (0.60) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL28109187 0.87 ATM (0.53) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL28109189 0.87 ATM (0.53) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL853344 0.87 CYP2C19 (0.56) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL3265138 0.87 CYP2C19 (0.56) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL3265315 0.87 CYP2C19 (0.56) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL23346140 0.85 CYP2C9 (0.51) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL16938797 0.85 CYP2D6 (0.51) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL8750061 0.85 CYP2C9 (0.51) ATMCYP2D6CYP2C9CYP2C19CYP3A4

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 725 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981879-B Method for preparing NS5A inhibitor-wipatasvir 南通常佑药业科技有限公司 2021-03-05 CN claimed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 US claimed
CN-110981879-A Method for preparing NS5A inhibitor-wipatasvir 南通常佑药业科技有限公司 2020-04-10 CN claimed
US-20200071337-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 US claimed
US-20190337960-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-11-07 US claimed
US-20190276468-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-09-12 US claimed
EP-3686185-B1 FLUORENE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING HCV-RELATED DISEASE SEOUL NAT UNIV R&DB FOUNDATION (KR) 2023-12-13 EP disclosed
US-11261175-B2 Fluorene derivative or pharmaceutically acceptable salt thereof, preparation method therefor, and pharmaceutical composition comprising same as effective ingredient for preventing or treating HCV-related disease SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2022-03-01 US disclosed
US-11192875-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2021-12-07 US disclosed
US-20210139493-A1 PREPARATION OF VELPATASVIR AND DERIVATIVE THEREOF SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) 2021-05-13 US disclosed
CN-110981879-B Method for preparing NS5A inhibitor-wipatasvir 南通常佑药业科技有限公司 2021-03-05 CN disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 US disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP disclosed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 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 (8 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-11192875-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 ATM 2741/4885CYP2D6 226/4885CYP2C9 456/4885
US-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885
US-11261175-B2 Fluorene derivative or pharmaceutically acceptable salt thereof, preparation method therefor, and pharmaceutical composition comprising same as effective ingredient for preventing or treating HCV-related disease SLC10A1, SLC39A11, FAR1 ATM 4624/4885CYP2D6 2295/4885CYP2C9 1707/4885
US-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885
US-20210139493-A1 PREPARATION OF VELPATASVIR AND DERIVATIVE THEREOF SAMHD1, TYMP, PNP ATM 1554/4885CYP2D6 166/4885CYP2C9 137/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885
US-20190337960-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885

“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.