SCHEMBL2135402

SCHEMBL2135402

CCNCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
PPID Q08752 1/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ABCC3 O15438 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
RARG P13631 1/20 0.48

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 SCHEMBL2135394 0.98 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL7695939 0.89 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL6518216 0.88 PPID (0.59) ALDH1A1L3MBTL1MAPK1CA1CA2
Hydrochloric Acid SCHEMBL8053510 0.87 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL9293364 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL31174375 0.86 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CA1CA2
Hydrochloric Acid SCHEMBL11013718 0.85 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL8404075 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL5369633 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL316883 0.84 CA1 (0.66) ALDH1A1L3MBTL1MAPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-8232298-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
EP-2447265-A1 NOVEL THIOPHENE CARBOXAMIDE DERIVATIVE AND MEDICINAL USE OF SAME Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2012-05-02 EP disclosed
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2012-04-26 US disclosed
US-8017742-B2 Polymer with hydrogen-bonding sites having a conformation similar to the conformation of a nucleic acid, and particularly having helix parameters like those of a nucleic acid; complexs with nucleic acids JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-4576749-A 3-Acylamino-1-carboxymethylaminocarbonyl-2-azetidinones E. R. SQUIBB & SONS, INC. (US) 1986-03-18 US disclosed
EP-0138407-A1 Azetidinones E.R. Squibb & Sons, Inc. (US) 1985-04-24 EP 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 (2 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-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB ALDH1A1 1463/4885L3MBTL1 4759/4885MAPK1 1427/4885
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF GCK, GCKR, HK2 ALDH1A1 2623/4885L3MBTL1 4632/4885MAPK1 718/4885

“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.