SCHEMBL16670841

SCHEMBL16670841

Cc1cc(NC(=O)C2CCN(C(=O)C(=O)O)C2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 2/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
HSD17B10 Q99714 1/20 0.47
USP2 O75604 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
MAPT P10636 1/20 0.47
RHOA P61586 2/20 0.47
RHOC P08134 1/20 0.47
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL22633108 1.00 RAB9A (0.53) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL17511351 0.92 RAB9A (0.52) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL19433798 0.88 LMNA (0.53) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL29458358 0.88 LMNA (0.53) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL28589348 0.87 RAB9A (0.61) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL28589349 0.87 RAB9A (0.61) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL18045227 0.87 RAB9A (0.48) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL16677931 0.86 USP2 (0.57) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL16671636 0.86 USP2 (0.57) RAB9AALDH1A1NPC1HCRTR1HCRTR2
SCHEMBL22633023 0.86 MALT1 (0.65) ALDH1A1SMN1; SMN2UBE2MDCUN1D1MALT1

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-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-08-13 US disclosed
US-10071961-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2018-09-11 US disclosed
US-9567299-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2017-02-14 US disclosed
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN INFECTIOUS DISEASES BVBA (BE) 2016-09-15 US disclosed
EP-3060547-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-08-31 EP disclosed
WO-2015059212-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2015-04-30 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 (3 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-10071961-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, NR1H4, GLS2 RAB9A 3418/4885ALDH1A1 2629/4885NPC1 1066/4885
US-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, XDH, NR1H4 RAB9A 3354/4885ALDH1A1 2810/4885NPC1 1185/4885
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 RAB9A 3354/4885ALDH1A1 2810/4885NPC1 1185/4885

“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.