SCHEMBL20117002

SCHEMBL20117002

CC(=O)c1ccc(Cl)cc1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
MAOB P27338 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
KMT2A Q03164 2/20 0.46
ABL1 P00519 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
MAOA P21397 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
SCHEMBL22114102 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL4128209 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL29525218 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL14439661 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL27929753 0.87 KDM4E (0.58) ALDH1A1SMN1; SMN2TP53TSHRCASP1
Nitrogen SCHEMBL27881823 0.84 KDM4E (0.54) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL1995650 0.84 ABL1 (0.64) ALDH1A1SMN1; SMN2CA12CA9KDM4E
SCHEMBL363918 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL29518159 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL322161 0.84 TSHR (0.65) ALDH1A1SMN1; SMN2TSHRCASP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885SMN1; SMN2 13/4885TP53 4352/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885SMN1; SMN2 13/4885TP53 4352/4885

“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.