SCHEMBL22113968

SCHEMBL22113968

Cc1cccc(C(=O)Nc2ccc(CCC(O)C(O)CCc3ccc(NC(=O)c4c(C)cccc4C(=O)O)cc3)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.47
▸ ITGB1 P05556 8/20 0.43
▸ ITGA4 P13612 8/20 0.43
▸ ITGA2 P17301 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL16127947 0.80 FFAR1 (0.49) FFAR1ITGB1ITGA4ITGA2ITGB7
SCHEMBL16088671 0.80 TRPV1 (0.56) FFAR1SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL17538521 0.80 FFAR1 (0.52) FFAR1ITGB1ITGA4ITGA2ITGB7
SCHEMBL16088651 0.73 ALDH1A1 (0.58) FFAR1SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL27464184 0.72 TYK2 (0.68) SMN1; SMN2HPGDALDH1A1POLB
SCHEMBL12284610 0.71 FFAR1 (0.75) FFAR1ADRB3SMN1; SMN2KDM4ELMNA
SCHEMBL29400205 0.70 ALDH1A1 (0.63) KDM4ELMNAHPGDALDH1A1POLB
SCHEMBL80110 0.70 ALDH1A1 (0.63) KDM4ELMNAHPGDALDH1A1POLB
SCHEMBL7190666 0.69 TRPV1 (0.61) SMN1; SMN2KDM4EHPGDALDH1A1POLB
SCHEMBL6841680 0.69 ALDH1A1 (0.72) KDM4ELMNAHPGDALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 FFAR1 2848/4885ITGB1 2770/4885ITGA4 3063/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 FFAR1 2848/4885ITGB1 2770/4885ITGA4 3063/4885

“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