SCHEMBL168389

SCHEMBL168389

CC(C)(C)OC(=O)C[C@@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 9/20 0.43
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CTSS P25774 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL344731 1.00 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL29990821 1.00 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL3689498 1.00 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL4747461 0.97 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL14489658 0.91 CYP2D6 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL272147 0.91 CYP2D6 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL272149 0.91 CYP2D6 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL3414965 0.87 CYP1A2 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL1968178 0.87 CYP2D6 (0.47) CYP2D6CA1CA2CA7CTSK
SCHEMBL1968182 0.87 CYP2D6 (0.47) CYP2D6CA1CA2CA7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCE INC (US) 2026-02-05 US disclosed
US-12404262-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2025-09-02 US disclosed
US-12378206-B2 Heteroaryl butanoic acid derivatives NOVARTIS AG (CH) 2025-08-05 US disclosed
EP-4440701-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2024-10-09 EP disclosed
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed
CN-117682981-A Preparation method of gemagliptin prodrug 中国科学院大连化学物理研究所 2024-03-12 CN disclosed
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-07-06 US disclosed
WO-2023102523-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
US-20220411385-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2022-12-29 US disclosed
US-11453651-B2 Heteroaryl butanoic acid derivatives NOVARTIS AG (CH) 2022-09-27 US disclosed
EP-2669266-A1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate Dong-A Pharmaceutical Co., Ltd. (KR) 2013-12-04 EP disclosed
US-8598347-B2 Method for manufacturing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL. CO., LTD (KR) 2013-12-03 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
EP-2415754-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 EP disclosed
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 US disclosed
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 US disclosed
WO-2010133000-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2010-11-25 WO disclosed
WO-2009140765-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2009-11-26 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 (9 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-20220411385-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES LTA4H, LTC4S, LTB4R CYP2D6 166/4885CA1 4679/4885CA2 4057/4885
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof CASP3, CASP1, HTRA2 CYP2D6 2204/4885CA1 302/4885CA2 1628/4885
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 CYP2D6 732/4885CA1 1056/4885CA2 1216/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CYP2D6 1664/4885CA1 155/4885CA2 788/4885
US-12378206-B2 Heteroaryl butanoic acid derivatives LTA4H, LTC4S, LTB4R CYP2D6 151/4885CA1 4627/4885CA2 3948/4885
US-11453651-B2 Heteroaryl butanoic acid derivatives LTA4H, LTC4S, LTB4R CYP2D6 151/4885CA1 4627/4885CA2 3948/4885
US-12404262-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 CYP2D6 2283/4885CA1 4775/4885CA2 4777/4885
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CPSF6, NFATC1, CPSF1 CYP2D6 494/4885CA1 3782/4885CA2 2055/4885
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CCR10, CCR1, CCR3 CYP2D6 496/4885CA1 3772/4885CA2 4234/4885

“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.