SCHEMBL2344100

SCHEMBL2344100

O=C(CS)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CA1 P00915 1/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL11517912 0.98 CA12 (0.53) CA12CA2CA9MEN1KMT2A
SCHEMBL11521671 0.98 CA12 (0.53) CA12CA2CA9MEN1KMT2A
Ammonia Solution, Strong SCHEMBL11521152 0.98 CA12 (0.53) CA12CA2CA9MEN1KMT2A
SCHEMBL1509976 0.87 MEN1 (0.64) CA2CA9MEN1KMT2APOLB
SCHEMBL11520695 0.85 CA2 (0.58) CA12CA2CA9POLBCYP1A2
SCHEMBL7932235 0.82 MAPT (0.62) MEN1KMT2AMAPTALDH1A1
SCHEMBL2843886 0.82 CA12 (0.56) CA12CA2CA9MEN1KMT2A
SCHEMBL9912437 0.82 CA12 (0.56) CA12CA2CA9MEN1KMT2A
SCHEMBL253778 0.81 HDAC1 (0.65) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL11517909 0.81 MEN1 (0.50) CA2CA9MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US claimed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO claimed
US-4005222-A Mucolytic mercaptoacylamidobenzoic and benzenesulfonic acid compounds and process MEAD JOHNSON & COMPANY (US) 1977-01-25 US claimed
EP-3320921-B1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA INC (US) 2022-01-05 EP disclosed
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA, INC. (US) 2018-06-07 US disclosed
EP-3320921-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS Ala Wai Pharma, Inc. (US) 2018-05-16 EP disclosed
EP-2217216-B1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA INC (US) 2017-09-27 EP disclosed
US-20170157059-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA, INC. (US) 2017-06-08 US disclosed
US-9579383-B2 Formulations for enhanced bioavailability of orally administered polar agents ALA WAI PHARMA, INC. (US) 2017-02-28 US disclosed
US-20140072627-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA, INC. (US) 2014-03-13 US disclosed
US-8609139-B2 Formulations for enhanced bioavailability of orally administered polar agents ALA WAI PHARMA, INC. (US) 2013-12-17 US disclosed
EP-0524146-A1 Aminosubstituted Piperazinederivatives CIBA-GEIGY AG (CH) 1993-01-20 EP disclosed
US-4178301-A 4-(2-(ACETYLTHIO)ACETAMIDO)BENZOIC ACID AS MUCOLYTIC AGENT MEAD JOHNSON & COMPANY (US) 1979-12-11 US disclosed
US-4178301-A 4-(2-(ACETYLTHIO)ACETAMIDO)BENZOIC ACID AS MUCOLYTIC AGENT MEAD JOHNSON & COMPANY (US) 1979-12-11 US disclosed
US-4132802-A LIQUEFACTION OF MUCUS MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4132802-A LIQUEFACTION OF MUCUS MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4096277-A Mucolytic mercaptoacylamidobenzamides and process of using same MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4096277-A Mucolytic mercaptoacylamidobenzamides and process of using same MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4005222-A Mucolytic mercaptoacylamidobenzoic and benzenesulfonic acid compounds and process MEAD JOHNSON & COMPANY (US) 1977-01-25 US disclosed
US-4005222-A Mucolytic mercaptoacylamidobenzoic and benzenesulfonic acid compounds and process MEAD JOHNSON & COMPANY (US) 1977-01-25 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 (3 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-20170157059-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 CA12 484/4885CA2 851/4885CA9 914/4885
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 CA12 484/4885CA2 851/4885CA9 914/4885
US-20140072627-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 CA12 484/4885CA2 851/4885CA9 914/4885

“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.