Sugi Predict

Sugi Predict / Compounds / SCHEMBL4887935

SCHEMBL4887935

SCHEMBL4887935

NCc1ccccc1CNC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ HPGD P15428 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ F2 P00734 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 2/20 0.39

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
Hydrochloric Acid SCHEMBL17258977 0.98 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL29935885 0.89 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL9156343 0.89 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL11157053 0.87 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4955848 0.85 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL8528165 0.84 MTNR1A (0.49) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1799028 0.82 SETDB1 (0.51) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL25217366 0.82 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL27682450 0.82 ALDH1A1 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL6921461 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 — — EP disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 — — US disclosed
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
EP-3628045-A1 COMPOUNDS The University Of Sheffield (GB) 2020-04-01 — — EP disclosed
WO-2018211275-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2018-11-22 — — WO disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 — — US disclosed
WO-2005058826-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-06-30 — — WO disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 — — US disclosed
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 — — US disclosed
WO-2003011222-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2003-02-13 — — WO disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 — — US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 — — US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 — — US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
WO-2002057225-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-07-25 — — WO disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 — — 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 (10 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 CYP1A2 1643/4885CYP2D6 1557/4885CYP2C9 2774/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 CYP1A2 1643/4885CYP2D6 1557/4885CYP2C9 2774/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 CYP1A2 324/4885CYP2D6 51/4885CYP2C9 294/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI CYP1A2 2628/4885CYP2D6 3676/4885CYP2C9 1027/4885
US-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI CYP1A2 1407/4885CYP2D6 3679/4885CYP2C9 748/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 CYP1A2 1643/4885CYP2D6 1557/4885CYP2C9 2774/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 CYP1A2 644/4885CYP2D6 1431/4885CYP2C9 2237/4885
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 CYP1A2 465/4885CYP2D6 838/4885CYP2C9 795/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 CYP1A2 324/4885CYP2D6 51/4885CYP2C9 294/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI CYP1A2 1203/4885CYP2D6 2418/4885CYP2C9 411/4885

“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.