SCHEMBL12387355

SCHEMBL12387355

N=C(OCc1ccc(CO)cc1)C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KIF11 P52732 1/20 0.32
OPRK1 P41145 1/20 0.31
F2 P00734 2/20 0.31
TMPRSS6 Q8IU80 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
VHL P40337 1/20 0.31

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
SCHEMBL13180669 0.86 MEN1 (0.46) ALDH1A1CA2MEN1KMT2A
SCHEMBL1624940 0.83 AGXT (0.44) ALDH1A1CA1CA2CA9NPC1
SCHEMBL2221024 0.83 IDO1 (0.44) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4963068 0.83 IDO1 (0.44) MEN1KMT2AOPRK1SMN1; SMN2
SCHEMBL52407 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCA12CA1CA2
SCHEMBL1968907 0.80 IDO1 (0.47) ALDH1A1TSHRPPARACA12CA1
SCHEMBL329086 0.80 IDO1 (0.47) ALDH1A1TSHRKMT2ANPC1RAB9A
Alcohol SCHEMBL5922921 0.80 IDO1 (0.43) ALDH1A1TSHRKMT2ANPC1RAB9A
SCHEMBL6506640 0.79 ESR1 (0.48) ALDH1A1
SCHEMBL231808 0.77 IDO1 (0.50) ALDH1A1TSHRMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320886-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-11-09 US disclosed
US-9714255-B2 Cortistatin analogues and syntheses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-07-25 US disclosed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US disclosed
US-9127019-B2 Cortistatin analogues and synthesis thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-09-08 US disclosed
US-20150111921-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEROF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-23 US disclosed
US-20110190323-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-08-04 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 (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-20150111921-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEROF TEK, CTTN, FLT1 PRSS1 1134/4885PRSS2 2338/4885PRSS3 1992/4885
US-20110190323-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, PROKR1 PRSS1 1785/4885PRSS2 3316/4885PRSS3 2868/4885
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 PRSS1 1718/4885PRSS2 3140/4885PRSS3 2965/4885
US-20170320886-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 PRSS1 1718/4885PRSS2 3140/4885PRSS3 2965/4885

“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.