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SCHEMBL3733900

SCHEMBL3733900

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.57
▸ CTSB P07858 4/20 0.57
▸ CTSK P43235 3/20 0.57
▸ CTSS P25774 3/20 0.57
▸ CAPN1 P07384 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ ELANE P08246 2/20 0.52
▸ PRTN3 P24158 1/20 0.52
▸ CCR1 P32246 2/20 0.52
▸ ECE1 P42892 2/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ MME P08473 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51

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
SCHEMBL3725467 1.00 CTSL (0.57) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL28949078 1.00 CTSL (0.57) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL3732239 0.88 CTSL (0.64) CTSLCTSBCTSKCTSSATM
SCHEMBL3732240 0.88 CTSL (0.64) CTSLCTSBCTSKCTSSATM
SCHEMBL3729660 0.88 CTSL (0.56) CTSLCTSBCTSKCTSSATM
SCHEMBL3731206 0.87 CTSL (0.53) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL220569 0.87 CTSL (0.63) CTSLCTSBCTSKCTSSATM
SCHEMBL1287168 0.87 CTSL (0.63) CTSLCTSBCTSKCTSSATM
SCHEMBL2978398 0.87 CTSL (0.63) CTSLCTSBCTSKCTSSATM
SCHEMBL8671882 0.87 CTSL (0.63) CTSLCTSBCTSKCTSSATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064844-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY 2025-02-27 — — US disclosed
CN-115666587-A N4-hydroxycytidine and derivatives and related antiviral uses thereof 埃默里大学 2023-01-31 — — CN disclosed
EP-4017501-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO Emory University (US) 2022-06-29 — — EP disclosed
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-19 — — US disclosed
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-19 — — US disclosed
WO-2021159044-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY (US) 2021-08-12 — — WO disclosed
WO-2021159044-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY (US) 2021-08-12 — — WO disclosed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 — — US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 — — US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 — — US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 — — US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 — — US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 — — US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 — — US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 — — US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 — — EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 — — EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 — — WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 — — 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 (6 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 CTSL 756/4885CTSB 1150/4885CTSK 1583/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSL 483/4885CTSB 1674/4885CTSK 2547/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSL 756/4885CTSB 1150/4885CTSK 1583/4885
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO TYMP, MTAP, DCTD CTSL 117/4885CTSB 371/4885CTSK 883/4885
US-20250064844-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO TYMP, MTAP, DCTD CTSL 117/4885CTSB 371/4885CTSK 883/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSL 1476/4885CTSB 3486/4885CTSK 3753/4885

“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.