SCHEMBL19083771

SCHEMBL19083771

COc1cc(C(=O)NC2(C(=O)O)CCCCC2)ccc1OCc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.60
LPAR1 Q92633 2/20 0.60
S1PR1 P21453 2/20 0.49
S1PR5 Q9H228 1/20 0.49
HTT P42858 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 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
SCHEMBL19083773 0.90 LPAR1 (0.65) HDAC8LPAR1S1PR1S1PR5HTT
SCHEMBL19075754 0.89 LPAR1 (0.51) HDAC8LPAR1S1PR1S1PR5HDAC1
SCHEMBL28617062 0.83 ALDH1A1 (0.52) S1PR1S1PR5HTTRAB9AMAPT
SCHEMBL28617061 0.83 ALDH1A1 (0.52) S1PR1S1PR5HTTRAB9AMAPT
SCHEMBL28634985 0.81 ALDH1A1 (0.53) S1PR1S1PR5HTTRAB9AMAPT
SCHEMBL28634987 0.81 ALDH1A1 (0.53) S1PR1S1PR5HTTRAB9AMAPT
SCHEMBL1560358 0.79 LPAR1 (0.55) HDAC8LPAR1PDE4D
SCHEMBL19075742 0.79 LPAR1 (0.56) HDAC8LPAR1HTTRAB9ALMNA
SCHEMBL5300850 0.79 HDAC8 (0.68) HDAC8S1PR1S1PR5HTTHDAC1
SCHEMBL19075721 0.77 HDAC8 (0.69) HDAC8S1PR1HTTHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HDAC8 3496/4885LPAR1 768/4885S1PR1 693/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 HDAC8 3496/4885LPAR1 768/4885S1PR1 693/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HDAC8 3496/4885LPAR1 768/4885S1PR1 693/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 HDAC8 3496/4885LPAR1 768/4885S1PR1 693/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HDAC8 3496/4885LPAR1 768/4885S1PR1 693/4885

“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.