Sugi Predict

Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL6846367

C.Cc1ncc(O)c(C)c1O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PDXK O00764 1/20 0.37
▸ AOX1 Q06278 1/20 0.37
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ VRK1 Q99986 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ ACP1 P24666 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
SCHEMBL2260982 0.97 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7880212 0.79 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3679226 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31184201 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
Methane SCHEMBL15483967 0.72 LMNA (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4321859 0.71 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12677154 0.70 CYP3A4 (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL15577964 0.70 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL16418384 0.70 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1049253 0.70 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 — — US claimed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 — — US claimed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 — — EP claimed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 — — WO claimed
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 — — US disclosed
WO-2001079195-A9 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INT INC (US) 2003-10-23 — — WO disclosed
US-20030092679-A1 Novel non-convalent thrombin inhibitors DENDREON PHARMACEUTICALS LLC 2003-05-15 — — US disclosed
US-6541467-B1 And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. CORVAS INTERNATIONAL, INC. 2003-04-01 — — US disclosed
US-6506761-B1 Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 — — US disclosed
US-6506754-B1 Compounds as anticoagulants CORVAS INTERNATIONAL, INC. 2003-01-14 — — US disclosed
US-6506760-B1 Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 — — US disclosed
WO-2001079195-A2 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 — — WO disclosed
WO-2001079193-A2 SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 2001-10-25 — — WO disclosed
WO-2001079261-A1 TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 — — WO disclosed
WO-2001079262-A1 PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 — — WO disclosed
WO-2001027141-A1 INHIBITORS OF FACTOR XA HAVING AN ARGININE OR ARGININE ALDEHYDE MIMIC CORVAS INTERNATIONAL, INC. (US) 2001-04-19 — — WO disclosed
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 — — US disclosed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 — — US disclosed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 — — EP disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 — — 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 (1 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-20030092679-A1 Novel non-convalent thrombin inhibitors F2, SERPINC1, F2RL3 KDM4E 3434/4885ALDH1A1 4674/4885HPGD 2149/4885

“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.