SCHEMBL629002

SCHEMBL629002

CC(C)(C)OC(=O)N1CSC(C)(C)[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PREP P48147 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ EPHX2 P34913 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
SCHEMBL629003 1.00 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL2450264 0.88 CHRM2 (0.37) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL15776484 0.86 CHRM2 (0.36) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL15776483 0.86 CHRM2 (0.36) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL13541170 0.82 HSD17B10 (0.35) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL13541087 0.82 HSD17B10 (0.35) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL14578712 0.81 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL14612197 0.81 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL19075563 0.79 RIPK1 (0.35) HSD17B10
SCHEMBL5371270 0.77 KMT2A (0.40) SMN1; SMN2ATMHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024215870-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF POLYMERASE THETA AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-10-17 — — WO disclosed
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 — — EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 — — CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 — — WO disclosed
EP-2928868-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 — — EP disclosed
US-9303012-B2 Pyridine-2-amides useful as CB2 agonists HOFFMAN-LA ROCHE INC. (US) 2016-04-05 — — US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 — — US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 — — EP disclosed
US-20150299165-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-10-22 — — US disclosed
EP-2928868-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 — — EP disclosed
EP-1448539-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS Agouron Pharmaceuticals , Inc. (US) 2004-08-25 — — EP disclosed
EP-1409466-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2004-04-21 — — EP disclosed
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PFIZER INC. 2003-12-04 — — US disclosed
US-20030153507-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2003-08-14 — — US disclosed
WO-2002100844-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
WO-2002100845-A1 HV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
US-6222043-B1 COUPLING 2-AMIDO-THIAZOLE DERIVATIVE WITH 2-PHENYL4-(PROTECTED)AMINO-BUTYRIC ACID; DEPROTECTING AMINO PROTECTING GROUP; ACYLATING PRODUCT WITH CARBOXYLIC ACID CONTAINING CARBOCYCLIC OR HETEROCYCLIC GROUP; DEPROTECTING JAPAN ENERGY CORPORATION (JP) 2001-04-24 — — US disclosed
EP-0574135-B1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORP (JP) 1998-11-18 — — EP disclosed
US-5644028-A Process for producing peptide derivatives and salts therefor JAPAN ENERGY CORPORATION (JP) 1997-07-01 — — US disclosed
EP-0574135-A1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORPORATION (JP) 1993-12-15 — — EP 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-20030153507-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD HSD17B10 1113/4885CHRM2 4853/4885CHRM1 4801/4885
US-20150299165-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS CNR2, CNR1, GPR52 HSD17B10 3567/4885CHRM2 62/4885CHRM1 64/4885
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD HSD17B10 1113/4885CHRM2 4853/4885CHRM1 4801/4885

“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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