Sugi Predict

Sugi Predict / Compounds / SCHEMBL113145

SCHEMBL113145

SCHEMBL113145

NCC(C(=O)O)c1ccsc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ SLC1A3 P43003 2/20 0.41
▸ SLC1A2 P43004 2/20 0.41
▸ SLC1A1 P43005 2/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ GABBR2 O75899 1/20 0.34

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 SCHEMBL111897 0.98 ALOX5 (0.42) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL14713063 0.83 ALOX5 (0.41) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL600267 0.81 AKR1C3 (0.44) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL16472964 0.80 ALOX5 (0.43) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL27275524 0.79 ALOX5 (0.41) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL15412644 0.79 ALOX5 (0.41) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL28332935 0.78 CPN1 (0.48) POLBGABBR2GABBR1CPN1CPB2
SCHEMBL14445244 0.77 CYP2C19 (0.62) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL27510765 0.77 ALOX5 (0.44) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL1095592 0.77 ALOX5 (0.44) ALOX5SLC1A3SLC1A2SLC1A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 — — US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 — — US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 — — US disclosed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 — — US disclosed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 — — US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 — — US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 — — US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 — — EP disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 — — EP disclosed
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
WO-2010011853-A2 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-01-28 — — WO disclosed
US-5219886-A Cardiovascular disorders, analgesics, enzyme inhibitors SCHERING CORPORATION (US) 1993-06-15 — — US disclosed
EP-0393441-B1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1993-05-26 — — EP disclosed
EP-0467957-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1992-01-29 — — EP disclosed
EP-0393441-A1 Mercapto-acylamino acids SCHERING CORPORATION (US) 1990-10-24 — — EP disclosed
WO-1990012003-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1990-10-18 — — WO disclosed
US-4110342-A PENICILLIN AND CEPHALOSPORIN INTERMEDIATES PFIZER INC. (US) 1978-08-29 — — US disclosed
US-4009160-A BACTERICIDES, PENICILLINS PFIZER INC. (US) 1977-02-22 — — US disclosed
US-3997527-A ANTIBIOTIC PFIZER INC. (US) 1976-12-14 — — US disclosed
US-3966710-A Aminomethylarylmethylpenicillin derivatives PFIZER INC. (US) 1976-06-29 — — US 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 (5 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ALOX5 2044/4885SLC1A3 69/4885SLC1A2 22/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ALOX5 2044/4885SLC1A3 69/4885SLC1A2 22/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ALOX5 2044/4885SLC1A3 69/4885SLC1A2 22/4885
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ALOX5 3023/4885SLC1A3 1439/4885SLC1A2 832/4885
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 ALOX5 3023/4885SLC1A3 1439/4885SLC1A2 832/4885

“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.