Sugi Predict

Sugi Predict / Compounds / SCHEMBL17857944

SCHEMBL17857944

SCHEMBL17857944

CCOC(=O)C(Oc1cccc(N)c1C)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34

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
SCHEMBL17846979 0.85 CYP3A4 (0.36) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL17847057 0.80 L3MBTL1 (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL17847061 0.80 L3MBTL1 (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL380244 0.79 L3MBTL1 (0.46) ALDH1A1HSD17B10TSHRTDP1MEN1
SCHEMBL19812407 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1MEN1KMT2A
SCHEMBL18106788 0.70 MCHR1 (0.50) ALDH1A1TSHRTDP1CYP3A4PIK3CA
SCHEMBL10728543 0.69 CYP3A4 (0.52) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL27833214 0.69 ESR1 (0.44) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL10975368 0.69 F9 (0.48) ALDH1A1HSD17B10TSHRTDP1KMT2A
SCHEMBL17847150 0.69 F9 (0.48) ALDH1A1HSD17B10TSHRTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 — — US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 — — US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 — — US disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — 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 (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-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof PTGER1, PTGES, PTGES3 ALDH1A1 172/4885HSD17B10 843/4885TSHR 4698/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 ALDH1A1 172/4885HSD17B10 843/4885TSHR 4698/4885

“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.