SCHEMBL31552017

SCHEMBL31552017

[2H]C([2H])([2H])Oc1cc(CC(=O)O)cc(F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA5A P35218 1/20 0.35
SRD5A2 P31213 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
RXRA P19793 2/20 0.33
RXRG P48443 2/20 0.33
HPGD P15428 2/20 0.33
RXRB P28702 1/20 0.33
THRB P10828 1/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 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
SCHEMBL30636972 0.83 CACNA1H (0.35) CACNA1H
SCHEMBL31048476 0.81 GAA (0.43) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL4549705 0.81 TRPV4 (0.45) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL31551822 0.77 TNKS (0.39) CACNA1HALDH1A1GAATSHRTDP1
SCHEMBL31551968 0.75 HSD17B10 (0.33) GAAHSD17B10
SCHEMBL4549703 0.74 ALDH1A1 (0.49) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL31610125 0.73 GAA (0.43) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL31432491 0.73 CACNA1H (0.39) CACNA1HALDH1A1NFKB1TDP1HPGD
SCHEMBL21596827 0.72 CACNA1H (0.41) CACNA1HALDH1A1TSHRHSD17B10KDM4E
SCHEMBL31551766 0.72 TRPV4 (0.36)

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-12528828-B2 Substituted pyrido[4,3-d]pyrimidines as KRAS modulators ALTEROME THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
US-20250346610-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS ALTEROME THERAPEUTICS INC (US) 2025-11-13 US disclosed
US-12466842-B2 Substituted pyrido [4,3-d]pyrimidines as KRAS modulators ALTEROME THERAPEUTICS, INC. (US) 2025-11-11 US disclosed
US-20250282799-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS ALTEROME THERAPEUTICS, INC. 2025-09-11 US disclosed
US-20250179093-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. 2025-06-05 US disclosed
WO-2025064542-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2025-03-27 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-20250179093-A1 KRAS MODULATORS KRAS, NRAS, HRAS CACNA1H 4654/4885ALDH1A1 4071/4885GAA 2015/4885
US-20250346610-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS KRAS, NRAS, HRAS CACNA1H 4682/4885ALDH1A1 3593/4885GAA 2385/4885
US-12466842-B2 Substituted pyrido [4,3-d]pyrimidines as KRAS modulators KRAS, NRAS, HRAS CACNA1H 4682/4885ALDH1A1 3593/4885GAA 2385/4885
US-20250282799-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS KRAS, NRAS, HRAS CACNA1H 4682/4885ALDH1A1 3593/4885GAA 2385/4885
US-12528828-B2 Substituted pyrido[4,3-d]pyrimidines as KRAS modulators KRAS, NRAS, HRAS CACNA1H 3680/4885ALDH1A1 1854/4885GAA 3456/4885

“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.