SCHEMBL16127933

SCHEMBL16127933

O=C(O)c1cccc(Cl)c1C(=O)Nc1ccc(CCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.52
▸ ITGA4 P13612 11/20 0.52
▸ ALOX15 P16050 1/20 0.49
▸ KLKB1 P03952 1/20 0.49
▸ SLC16A3 O15427 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ TAS1R2 Q8TE23 1/20 0.48
▸ SMO Q99835 2/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ ITGA2 P17301 1/20 0.45
▸ ITGB7 P26010 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 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
SCHEMBL16127943 0.90 KLKB1 (0.52) ITGB1ITGA4ALOX15KLKB1SMO
SCHEMBL16088642 0.89 PLK1 (0.56) ITGB1ITGA4ALOX15PLK1
SCHEMBL16127947 0.85 FFAR1 (0.49) ITGB1ITGA4ALOX15ITGA2ITGB7
SCHEMBL16127937 0.85 PLK1 (0.46) ITGB1ITGA4ALOX15PLK1JAK2
SCHEMBL16127940 0.84 KMT2A (0.43) ITGB1ITGA4ALOX15TAS1R3TAS1R1
SCHEMBL12614440 0.81 ALDH1A1 (0.63) ALOX15CYP3A4
SCHEMBL16088657 0.79 PLK1 (0.58) ITGB1ITGA4ALOX15KLKB1SMO
SCHEMBL16127942 0.78 MEN1 (0.49) ITGB1ITGA4ALOX15PLK1JAK2
SCHEMBL17538521 0.78 FFAR1 (0.52) ITGB1ITGA4ALOX15ITGA2ITGB7
SCHEMBL16127939 0.77 KMT2A (0.46) ALOX15KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 — — US disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 — — US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 — — US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 — — US disclosed
WO-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 — — 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 (3 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-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 ITGB1 2770/4885ITGA4 3063/4885ALOX15 675/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ITGB1 2770/4885ITGA4 3063/4885ALOX15 675/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ITGB1 2770/4885ITGA4 3063/4885ALOX15 675/4885

“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.

Send feedback