SCHEMBL2344103

SCHEMBL2344103

CC(=S)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
TAS2R38 P59533 1/20 0.59
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
CA2 P00918 3/20 0.53
CA1 P00915 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MITF O75030 1/20 0.52
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
FFAR1 O14842 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
CA12 O43570 2/20 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
SCHEMBL13838252 0.85 MAPT (0.60) ALDH1A1TAS2R38CA2CA1KMT2A
SCHEMBL1110923 0.83 ALDH1A1 (0.63) ALDH1A1TAS2R38CA2CA1KMT2A
4-Chloro-Benzoic Acid SCHEMBL9317543 0.83 TAS2R38 (0.59) ALDH1A1TAS2R38KMT2AMEN1RAB9A
4-Chloro-Benzoic Acid SCHEMBL9316888 0.83 TAS2R38 (0.59) ALDH1A1TAS2R38KMT2AMEN1RAB9A
Acedoben SCHEMBL24320 0.83 ALDH1A1 (0.68) ALDH1A1EPHX2NR1H4CA2CA1
SCHEMBL14511451 0.82 TAS2R38 (0.75) ALDH1A1TAS2R38NR1H4CA2CA1
Acedoben SCHEMBL11793874 0.81 ALDH1A1 (0.66) ALDH1A1EPHX2NR1H4CA2CA1
Acedoben SCHEMBL3464430 0.81 ALDH1A1 (0.66) ALDH1A1EPHX2NR1H4CA2CA1
Acedoben SCHEMBL1458995 0.81 ALDH1A1 (0.66) ALDH1A1EPHX2NR1H4CA2CA1
Acedoben SCHEMBL11274912 0.81 ALDH1A1 (0.66) ALDH1A1EPHX2NR1H4CA2CA1

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 16 patents. 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
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
US-20110206764-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS UNIVERSITY OF HAWAII 2011-08-25 US disclosed
EP-2217216-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS Scolr Pharma, Inc. (US) 2010-08-18 EP disclosed
US-7572459-B2 Prevention infections in humans, animals STARPHARMA PTY LTD. (AU) 2009-08-11 US disclosed
WO-2009061805-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SCOLR PHARMA, INC. (US) 2009-05-14 WO disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 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 (4 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 ALDH1A1 3807/4885TAS2R38 1066/4885EPHX2 1213/4885
US-20110206764-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 ALDH1A1 3807/4885TAS2R38 1066/4885EPHX2 1213/4885
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 ALDH1A1 3807/4885TAS2R38 1066/4885EPHX2 1213/4885
US-20140072627-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 ALDH1A1 3807/4885TAS2R38 1066/4885EPHX2 1213/4885

“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.