SCHEMBL18019293

SCHEMBL18019293

CNc1nc(-c2cccc(C(=O)O)c2)ccc1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.52
LDHB P07195 5/20 0.45
KMO O15229 2/20 0.44
KDM4C Q9H3R0 1/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ATR Q13535 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40

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
SCHEMBL15131309 0.86 LDHA (0.49) LDHALDHBKMOALDH1A1IKBKB
SCHEMBL902964 0.85 LDHA (0.48) LDHALDHBKMOALDH1A1IKBKB
SCHEMBL18019282 0.85 SMN1; SMN2 (0.44) LDHALDHBALDH1A1GAA
SCHEMBL18267291 0.78 ABCG2 (0.44) LDHALDHBALDH1A1IKBKBCHUK
SCHEMBL30041404 0.76 ACMSD (0.51) LDHALDHBALDH1A1
SCHEMBL28859450 0.76 ACMSD (0.51) LDHALDHBALDH1A1
SCHEMBL19928398 0.74 LDHA (0.49) LDHALDHBKMOALDH1A1LMNA
SCHEMBL20256974 0.74 LDHA (0.45) LDHALDHBKMOALDH1A1
SCHEMBL15131407 0.73 RXRA (0.44) LDHALDHBKMOALDH1A1RXRA
SCHEMBL19928394 0.73 LDHA (0.46) LDHALDHBKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294225-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2019-05-21 US disclosed
US-20180162858-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2018-06-14 US disclosed
EP-2621493-B1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER (US) 2016-08-17 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-10294225-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC LDHA 478/4885LDHB 951/4885KMO 621/4885
US-20180162858-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC LDHA 478/4885LDHB 951/4885KMO 621/4885

“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.