SCHEMBL6449347

SCHEMBL6449347

CON=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
PTBP1 P26599 1/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
TRPA1 O75762 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CYP1A2 P05177 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL6815969 0.92 KMT2A (0.53) SMN1; SMN2LMNAPTBP1ESR1ESR2
SCHEMBL1663311 0.82 RAB9A (0.68) SMN1; SMN2KMT2APOLBRAB9ANPC1
SCHEMBL16202051 0.80 LMNA (0.66) SMN1; SMN2LMNAPTBP1KMT2APOLB
SCHEMBL6076756 0.80 LMNA (0.66) SMN1; SMN2LMNAPTBP1KMT2APOLB
SCHEMBL7862976 0.79 TDP1 (0.46) SMN1; SMN2LMNAESR2KMT2ACES2
SCHEMBL27944058 0.77 ALDH1A1 (0.59) SMN1; SMN2LMNAESR1CES2CES1
SCHEMBL9786513 0.77 CYP19A1 (0.41) SMN1; SMN2LMNAESR1ESR2KMT2A
SCHEMBL13603817 0.77 TRPA1 (0.38) SMN1; SMN2LMNAPTBP1ESR1ESR2
SCHEMBL211460 0.76 TSHR (0.44) SMN1; SMN2LMNAKMT2APOLBCES2
SCHEMBL22770032 0.76 RXRA (0.48) LMNAKMT2APOLBRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 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 (1 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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 SMN1; SMN2 3245/4885LMNA 4275/4885PTBP1 2768/4885

“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.