SCHEMBL5136162

SCHEMBL5136162

CS(=O)(=O)c1cc[c]c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
LMNA P02545 1/20 0.38
G6PD P11413 1/20 0.36
IDE P14735 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SCD O00767 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
PNMT P11086 1/20 0.33

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
SCHEMBL28813873 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6241506 0.81 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1
SCHEMBL28002892 0.79 CA12 (0.36)
SCHEMBL941266 0.77 G6PD (0.37) ENPP2LMNAG6PDIDESMN1; SMN2
SCHEMBL1448262 0.77 SMN1; SMN2 (0.37) ENPP2LMNAG6PDIDESMN1; SMN2
SCHEMBL27958319 0.76 ENPP2 (0.38) ENPP2LMNAG6PDIDESMN1; SMN2
SCHEMBL1447811 0.75 PTGS2 (0.38) ENPP2LMNAG6PDIDESMN1; SMN2
SCHEMBL971270 0.75 LMNA (0.42) ENPP2LMNAG6PDIDESMN1; SMN2
SCHEMBL635411 0.75 G6PD (0.44) ENPP2LMNAG6PDIDESMN1; SMN2
SCHEMBL1636862 0.75 G6PD (0.36) ENPP2LMNAG6PDIDESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695189-B2 Chemical crosslinkers and compositions thereof Nguyen, Mark Quang (US) 2017-07-04 US claimed
US-20140249319-A1 CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF Nguyen, Mark Quang (US) 2014-09-04 US claimed
US-10898503-B2 Cleavable drug conjugates, compositions thereof and methods of use Nguyen, Mark Quang (US) 2021-01-26 US disclosed
US-9695189-B2 Chemical crosslinkers and compositions thereof Nguyen, Mark Quang (US) 2017-07-04 US disclosed
US-20160143937-A1 METHODS OF USING CLEAVABLE DRUG CONJUGATES AND COMPOSITIONS THEREOF Nguyen, Mark Quang (US) 2016-05-26 US disclosed
US-20160129027-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE Nguyen, Mark Quang (US) 2016-05-12 US disclosed
US-9295731-B2 Cleavable drug conjugates, compositions thereof and methods of use Nguyen, Mark Quang (US) 2016-03-29 US disclosed
US-20140294851-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE Nguyen, Mark Quang (US) 2014-10-02 US disclosed
US-20140249319-A1 CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF Nguyen, Mark Quang (US) 2014-09-04 US disclosed
US-20080044350-A1 Optical Imaging Contrast Agents for Imaging Lung Cancer GE HEALTHCARE AS (NO) 2008-02-21 US disclosed
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer AMERSHAM HEALTH AS (NO) 2007-09-13 US disclosed
EP-1667734-A2 OPTICAL IMAGING OF COLORECTAL CANCER GE Healthcare AS (NO) 2006-06-14 EP disclosed
WO-2005058370-A1 OPTICAL IMAGING CONTRAST AGENTS FOR IMAGING LUNG CANCER AMERSHAM HEALTH AS (NO) 2005-06-30 WO disclosed
WO-2005030266-A2 OPTICAL IMAGING OF COLORECTAL CANCER AMERSHAM HEALTH AS (NO) 2005-04-07 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 (7 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-20160129027-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE PAICS, FOLH1, DHFR ENPP2 548/4885LMNA 925/4885G6PD 791/4885
US-10898503-B2 Cleavable drug conjugates, compositions thereof and methods of use PAICS, FOLH1, DHFR ENPP2 548/4885LMNA 925/4885G6PD 791/4885
US-20140249319-A1 CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF CBR3, ERCC5, LIG3 ENPP2 2322/4885LMNA 2767/4885G6PD 1062/4885
US-20080044350-A1 Optical Imaging Contrast Agents for Imaging Lung Cancer KLK3, ROCK1, SMO ENPP2 390/4885LMNA 3488/4885G6PD 3660/4885
US-20140294851-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE PAICS, FOLH1, DHFR ENPP2 548/4885LMNA 925/4885G6PD 791/4885
US-20160143937-A1 METHODS OF USING CLEAVABLE DRUG CONJUGATES AND COMPOSITIONS THEREOF SI, PAICS, FURIN ENPP2 784/4885LMNA 450/4885G6PD 410/4885
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer IQGAP1, AQP3, ROCK1 ENPP2 352/4885LMNA 3331/4885G6PD 3748/4885

“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.