SCHEMBL2237397

SCHEMBL2237397

Fc1ccc(CNCC2CCCO2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
KDM4E B2RXH2 2/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 2/20 0.59
MEN1 O00255 3/20 0.58
KCNH3 Q9ULD8 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.50
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL3196036 0.84 KMT2A (0.71) KMT2AATML3MBTL1KDM4EPOLB
SCHEMBL10288644 0.84 KMT2A (0.71) KMT2AATML3MBTL1LMNAPKM
SCHEMBL17850457 0.84 KMT2A (0.71) KMT2AATML3MBTL1LMNAPKM
SCHEMBL23531478 0.84 KMT2A (0.70) KMT2AATML3MBTL1PKMRAB9A
SCHEMBL18541807 0.84 KMT2A (0.70) KMT2AATML3MBTL1PKMRAB9A
SCHEMBL28130536 0.84 KMT2A (0.70) KMT2AATML3MBTL1PKMRAB9A
SCHEMBL4485571 0.82 KMT2A (0.68) KMT2AATML3MBTL1POLBPKM
SCHEMBL22640066 0.81 KMT2A (0.66) KMT2AATML3MBTL1KDM4ELMNA
SCHEMBL22639694 0.81 KMT2A (0.66) KMT2AATML3MBTL1KDM4ELMNA
SCHEMBL10223274 0.81 KMT2A (0.70) KMT2AATML3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-20180170903-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-21 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP disclosed
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 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 (5 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 KMT2A 4472/4885ATM 3137/4885L3MBTL1 2556/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 KMT2A 4518/4885ATM 3337/4885L3MBTL1 2483/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 KMT2A 4472/4885ATM 3137/4885L3MBTL1 2556/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 KMT2A 4459/4885ATM 3236/4885L3MBTL1 2722/4885
US-20180170903-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT KMT2A 2688/4885ATM 3217/4885L3MBTL1 3250/4885

“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.