Sugi Predict

Sugi Predict / Compounds / SCHEMBL3096508

SCHEMBL3096508

SCHEMBL3096508

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CTSK P43235 9/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTSS P25774 6/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL3462484 1.00 CA1 (0.42) CA1CA2CA7CTSKATM
SCHEMBL2329376 1.00 CA1 (0.42) CA1CA2CA7CTSKATM
SCHEMBL5691699 0.91 CA1 (0.46) CA1CA2CA7CTSKATM
SCHEMBL25319084 0.89 CA1 (0.41) CA1CA2CA7CTSKATM
SCHEMBL25319090 0.89 CA1 (0.41) CA1CA2CA7CTSKATM
SCHEMBL20276859 0.87 CTSK (0.47) CA1CA2CA7CTSKATM
SCHEMBL4671387 0.87 CYP2D6 (0.45) CA1CA2CA7CTSKATM
SCHEMBL13964494 0.87 CA1 (0.42) CA1CA2CA7CTSKATM
SCHEMBL15376153 0.87 CTSK (0.47) CA1CA2CA7CTSKATM
SCHEMBL2104058 0.87 CYP2D6 (0.45) CA1CA2CA7CTSKATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
CN-116744927-A Fused heterocyclic derivatives and their use in the treatment of HBV infection 杨森科学爱尔兰无限公司 2023-09-12 — — CN disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
US-10450325-B2 Processes of preparing a JAK1 inhibitor and new forms thereto INCYTE CORPORATION (US) 2019-10-22 — — US disclosed
US-20180099978-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO INCYTE CORPORATION 2018-04-12 — — US disclosed
US-9802957-B2 Processes of preparing a JAK1 inhibitor and new forms thereto INCYTE CORPORATION (US) 2017-10-31 — — US disclosed
US-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 — — US disclosed
EP-3137471-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO Incyte Corporation (US) 2017-03-08 — — EP disclosed
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-02-11 — — US disclosed
US-20020193348-A1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2002-12-19 — — US disclosed
EP-1236735-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-09-04 — — EP disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 — — US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 — — US disclosed
US-20020048588-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2002-04-25 — — US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 — — US disclosed
US-6303347-B1 VACCINES CORIXA CORPORATION 2001-10-16 — — US disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 — — EP disclosed
EP-0505467-A1 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1992-09-30 — — EP disclosed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 — — 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-10450325-B2 Processes of preparing a JAK1 inhibitor and new forms thereto JAK1, JAK2, JAK3 CA1 4464/4885CA2 4653/4885CA7 4453/4885
US-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI CA1 3403/4885CA2 3566/4885CA7 3132/4885
US-20020193348-A1 Benzamidine derivatives SERPINC1, SERPINE1, TFPI CA1 3061/4885CA2 2678/4885CA7 2197/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CA1 1471/4885CA2 1711/4885CA7 1748/4885
US-20020048588-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors DNPEP, CD68, MGAT3 CA1 2584/4885CA2 1308/4885CA7 2194/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY CA1 3624/4885CA2 3696/4885CA7 1923/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 CA1 3469/4885CA2 2652/4885CA7 3274/4885
US-20180099978-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO JAK1, JAK2, JAK3 CA1 4464/4885CA2 4653/4885CA7 4453/4885

“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.