SCHEMBL21991774

SCHEMBL21991774

COC(=O)C(C)C(C)Oc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL21992562 0.86 TAS1R3 (0.51) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL21991808 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL24418969 0.84 KMT2A (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL24419039 0.84 KMT2A (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL24419111 0.84 KMT2A (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL23605998 0.84 KMT2A (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL24418990 0.84 KMT2A (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL21992537 0.83 NPSR1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL21991494 0.83 GAA (0.44) ALDH1A1MAPTLMNAPOLBGAA
SCHEMBL21991852 0.83 LDHA (0.49) ALDH1A1TSHRSMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885TSHR 3214/4885SMN1; SMN2 3122/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885TSHR 3214/4885SMN1; SMN2 3122/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885TSHR 3214/4885SMN1; SMN2 3122/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885TSHR 3214/4885SMN1; SMN2 3122/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885TSHR 3214/4885SMN1; SMN2 3122/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885TSHR 3214/4885SMN1; SMN2 3122/4885

“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.